USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 545 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 92 ASN : amide:sc= 0.163 X(o=0.26,f=-0.075) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= 0.0985 F(o=-0.6,f=0.26) USER MOD Single : A 30 SER OG : rot 140:sc= 0.333 USER MOD Single : A 31 ASN : amide:sc= -0.0286 X(o=-0.029,f=-0.34) USER MOD Single : A 32 THR OG1 : rot -73:sc= 0.735 USER MOD Single : A 44 GLN : amide:sc= 1.1 K(o=1.1,f=-0.029) USER MOD Single : A 46 SER OG : rot 95:sc= 0.703 USER MOD Single : A 49 ASN : amide:sc= 1.16 K(o=1.2,f=-0.021) USER MOD Single : A 58 MET CE :methyl 146:sc= -2.02 (180deg=-6.13!) USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.22) USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 0.964 (180deg=0.939) USER MOD Single : A 65 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.4) USER MOD Single : A 77 SER OG : rot 115:sc= 0.476 USER MOD Single : A 80 LYS NZ :NH3+ 172:sc= 1.56 (180deg=1.23) USER MOD Single : A 86 HIS : no HE2:sc= 0.565 K(o=0.57,f=-3.4!) USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= 1.03 (180deg=0.726) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 77:sc= -0.0484 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 6.098 10.227 6.141 1.00 0.00 N ATOM 36 CA SER A 30 6.024 10.095 4.683 1.00 0.00 C ATOM 37 C SER A 30 4.630 10.522 4.197 1.00 0.00 C ATOM 38 O SER A 30 4.475 11.064 3.112 1.00 0.00 O ATOM 39 CB SER A 30 6.227 8.651 4.204 1.00 0.00 C ATOM 40 OG SER A 30 7.563 8.223 4.374 1.00 0.00 O ATOM 0 HA SER A 30 6.819 10.724 4.281 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.560 7.988 4.756 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.953 8.575 3.152 1.00 0.00 H new ATOM 0 HG SER A 30 7.572 7.294 4.686 1.00 0.00 H new ATOM 46 N ASN A 31 3.615 10.272 5.038 1.00 0.00 N ATOM 47 CA ASN A 31 2.210 10.690 4.933 1.00 0.00 C ATOM 48 C ASN A 31 1.459 10.156 3.689 1.00 0.00 C ATOM 49 O ASN A 31 0.351 10.612 3.406 1.00 0.00 O ATOM 50 CB ASN A 31 2.077 12.222 5.080 1.00 0.00 C ATOM 51 CG ASN A 31 2.980 12.896 6.106 1.00 0.00 C ATOM 52 OD1 ASN A 31 3.462 12.310 7.070 1.00 0.00 O ATOM 53 ND2 ASN A 31 3.251 14.164 5.908 1.00 0.00 N ATOM 0 H ASN A 31 3.771 9.723 5.884 1.00 0.00 H new ATOM 0 HA ASN A 31 1.703 10.213 5.772 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.271 12.674 4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.042 12.450 5.337 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.862 14.662 6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.851 14.652 5.107 1.00 0.00 H new ATOM 60 N THR A 32 2.044 9.211 2.944 1.00 0.00 N ATOM 61 CA THR A 32 1.591 8.860 1.578 1.00 0.00 C ATOM 62 C THR A 32 1.860 7.407 1.126 1.00 0.00 C ATOM 63 O THR A 32 1.865 7.169 -0.073 1.00 0.00 O ATOM 64 CB THR A 32 2.300 9.792 0.562 1.00 0.00 C ATOM 65 OG1 THR A 32 3.705 9.677 0.681 1.00 0.00 O ATOM 66 CG2 THR A 32 1.953 11.275 0.680 1.00 0.00 C ATOM 0 H THR A 32 2.844 8.665 3.263 1.00 0.00 H new ATOM 0 HA THR A 32 0.508 8.978 1.608 1.00 0.00 H new ATOM 0 HB THR A 32 1.934 9.450 -0.406 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.001 10.123 1.502 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.501 11.838 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.882 11.411 0.528 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.227 11.635 1.672 1.00 0.00 H new ATOM 74 N ARG A 33 2.082 6.409 2.005 1.00 0.00 N ATOM 75 CA ARG A 33 2.665 5.113 1.557 1.00 0.00 C ATOM 76 C ARG A 33 1.987 3.860 2.092 1.00 0.00 C ATOM 77 O ARG A 33 1.710 3.734 3.269 1.00 0.00 O ATOM 78 CB ARG A 33 4.146 5.068 1.948 1.00 0.00 C ATOM 79 CG ARG A 33 5.090 5.828 1.045 1.00 0.00 C ATOM 80 CD ARG A 33 6.466 5.987 1.688 1.00 0.00 C ATOM 81 NE ARG A 33 7.419 6.566 0.740 1.00 0.00 N ATOM 82 CZ ARG A 33 8.632 7.010 0.984 1.00 0.00 C ATOM 83 NH1 ARG A 33 9.103 7.205 2.179 1.00 0.00 N ATOM 84 NH2 ARG A 33 9.402 7.260 -0.024 1.00 0.00 N ATOM 0 H ARG A 33 1.876 6.464 3.002 1.00 0.00 H new ATOM 0 HA ARG A 33 2.511 5.093 0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.247 5.461 2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.463 4.025 1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.189 5.303 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.673 6.811 0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.389 6.625 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.828 5.017 2.028 1.00 0.00 H new ATOM 0 HE ARG A 33 7.104 6.633 -0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.521 7.011 2.994 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.054 7.552 2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.062 7.112 -0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.349 7.606 0.131 1.00 0.00 H new ATOM 98 N LEU A 34 1.816 2.846 1.254 1.00 0.00 N ATOM 99 CA LEU A 34 0.954 1.713 1.575 1.00 0.00 C ATOM 100 C LEU A 34 1.702 0.375 1.661 1.00 0.00 C ATOM 101 O LEU A 34 2.127 -0.157 0.637 1.00 0.00 O ATOM 102 CB LEU A 34 -0.241 1.688 0.620 1.00 0.00 C ATOM 103 CG LEU A 34 -0.947 3.008 0.209 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.076 4.113 1.274 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.332 3.574 -1.058 1.00 0.00 C ATOM 0 H LEU A 34 2.266 2.784 0.341 1.00 0.00 H new ATOM 0 HA LEU A 34 0.573 1.856 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.090 1.201 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.998 1.044 1.068 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.977 2.689 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.589 4.974 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.647 3.736 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.083 4.413 1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.842 4.499 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.725 3.778 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.437 2.852 -1.868 1.00 0.00 H new ATOM 117 N PHE A 35 1.840 -0.155 2.892 1.00 0.00 N ATOM 118 CA PHE A 35 2.690 -1.299 3.240 1.00 0.00 C ATOM 119 C PHE A 35 1.825 -2.532 3.390 1.00 0.00 C ATOM 120 O PHE A 35 1.140 -2.769 4.384 1.00 0.00 O ATOM 121 CB PHE A 35 3.612 -1.016 4.443 1.00 0.00 C ATOM 122 CG PHE A 35 4.550 -2.114 4.942 1.00 0.00 C ATOM 123 CD1 PHE A 35 4.777 -3.324 4.242 1.00 0.00 C ATOM 124 CD2 PHE A 35 5.312 -1.849 6.099 1.00 0.00 C ATOM 125 CE1 PHE A 35 5.753 -4.233 4.685 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.282 -2.763 6.546 1.00 0.00 C ATOM 127 CZ PHE A 35 6.508 -3.954 5.838 1.00 0.00 C ATOM 0 H PHE A 35 1.341 0.220 3.699 1.00 0.00 H new ATOM 0 HA PHE A 35 3.391 -1.487 2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.226 -0.152 4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.978 -0.722 5.279 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.195 -3.550 3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.148 -0.933 6.648 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.924 -5.149 4.138 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.855 -2.548 7.436 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.258 -4.653 6.177 1.00 0.00 H new ATOM 137 N VAL A 36 1.807 -3.321 2.335 1.00 0.00 N ATOM 138 CA VAL A 36 0.883 -4.433 2.212 1.00 0.00 C ATOM 139 C VAL A 36 1.680 -5.655 1.786 1.00 0.00 C ATOM 140 O VAL A 36 2.514 -5.626 0.882 1.00 0.00 O ATOM 141 CB VAL A 36 -0.322 -4.037 1.363 1.00 0.00 C ATOM 142 CG1 VAL A 36 -1.119 -2.935 2.067 1.00 0.00 C ATOM 143 CG2 VAL A 36 0.036 -3.404 0.044 1.00 0.00 C ATOM 0 H VAL A 36 2.433 -3.210 1.537 1.00 0.00 H new ATOM 0 HA VAL A 36 0.416 -4.712 3.157 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.861 -4.973 1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.977 -2.658 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.466 -3.298 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.482 -2.063 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.876 -3.152 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.615 -2.498 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.628 -4.103 -0.546 1.00 0.00 H new ATOM 153 N ARG A 37 1.484 -6.707 2.573 1.00 0.00 N ATOM 154 CA ARG A 37 2.346 -7.896 2.635 1.00 0.00 C ATOM 155 C ARG A 37 1.720 -9.286 2.938 1.00 0.00 C ATOM 156 O ARG A 37 2.497 -10.210 3.190 1.00 0.00 O ATOM 157 CB ARG A 37 3.469 -7.533 3.634 1.00 0.00 C ATOM 158 CG ARG A 37 2.971 -7.082 5.022 1.00 0.00 C ATOM 159 CD ARG A 37 4.057 -7.159 6.108 1.00 0.00 C ATOM 160 NE ARG A 37 3.514 -6.818 7.438 1.00 0.00 N ATOM 161 CZ ARG A 37 3.364 -5.620 7.988 1.00 0.00 C ATOM 162 NH1 ARG A 37 3.748 -4.523 7.401 1.00 0.00 N ATOM 163 NH2 ARG A 37 2.809 -5.495 9.154 1.00 0.00 N ATOM 0 H ARG A 37 0.691 -6.763 3.213 1.00 0.00 H new ATOM 0 HA ARG A 37 2.682 -8.087 1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.120 -8.398 3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.077 -6.737 3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.605 -6.057 4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.126 -7.703 5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.479 -8.164 6.132 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.871 -6.478 5.860 1.00 0.00 H new ATOM 0 HE ARG A 37 3.215 -7.608 8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.184 -4.563 6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.612 -3.623 7.862 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.484 -6.322 9.655 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.698 -4.570 9.569 1.00 0.00 H new ATOM 177 N PRO A 38 0.385 -9.521 2.934 1.00 0.00 N ATOM 178 CA PRO A 38 -0.174 -10.880 3.058 1.00 0.00 C ATOM 179 C PRO A 38 0.348 -11.892 2.037 1.00 0.00 C ATOM 180 O PRO A 38 0.602 -13.054 2.359 1.00 0.00 O ATOM 181 CB PRO A 38 -1.680 -10.734 2.824 1.00 0.00 C ATOM 182 CG PRO A 38 -1.963 -9.313 3.241 1.00 0.00 C ATOM 183 CD PRO A 38 -0.704 -8.559 2.838 1.00 0.00 C ATOM 0 HA PRO A 38 0.111 -11.265 4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.943 -10.906 1.780 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.250 -11.448 3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.845 -8.917 2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.147 -9.240 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.791 -8.167 1.825 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.532 -7.707 3.496 1.00 0.00 H new ATOM 191 N PHE A 39 0.446 -11.421 0.801 1.00 0.00 N ATOM 192 CA PHE A 39 0.681 -12.188 -0.404 1.00 0.00 C ATOM 193 C PHE A 39 2.152 -12.592 -0.596 1.00 0.00 C ATOM 194 O PHE A 39 3.032 -11.756 -0.388 1.00 0.00 O ATOM 195 CB PHE A 39 0.251 -11.330 -1.609 1.00 0.00 C ATOM 196 CG PHE A 39 -0.206 -9.898 -1.335 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.757 -8.895 -1.109 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.575 -9.559 -1.292 1.00 0.00 C ATOM 199 CE1 PHE A 39 0.365 -7.558 -0.930 1.00 0.00 C ATOM 200 CE2 PHE A 39 -1.966 -8.223 -1.081 1.00 0.00 C ATOM 201 CZ PHE A 39 -0.997 -7.219 -0.922 1.00 0.00 C ATOM 0 H PHE A 39 0.356 -10.424 0.606 1.00 0.00 H new ATOM 0 HA PHE A 39 0.105 -13.109 -0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.088 -11.287 -2.306 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.561 -11.850 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.804 -9.156 -1.073 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.324 -10.326 -1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.113 -6.790 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.015 -7.969 -1.041 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.299 -6.190 -0.794 1.00 0.00 H new ATOM 211 N PRO A 40 2.437 -13.837 -1.019 1.00 0.00 N ATOM 212 CA PRO A 40 3.742 -14.220 -1.557 1.00 0.00 C ATOM 213 C PRO A 40 4.029 -13.486 -2.899 1.00 0.00 C ATOM 214 O PRO A 40 3.338 -12.537 -3.273 1.00 0.00 O ATOM 215 CB PRO A 40 3.699 -15.747 -1.723 1.00 0.00 C ATOM 216 CG PRO A 40 2.468 -16.214 -0.945 1.00 0.00 C ATOM 217 CD PRO A 40 1.560 -14.991 -0.899 1.00 0.00 C ATOM 0 HA PRO A 40 4.555 -13.932 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.626 -16.024 -2.775 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.606 -16.209 -1.334 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.980 -17.053 -1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.735 -16.548 0.058 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.832 -15.014 -1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.997 -14.958 0.034 1.00 0.00 H new ATOM 225 N LEU A 41 5.056 -13.910 -3.648 1.00 0.00 N ATOM 226 CA LEU A 41 5.523 -13.262 -4.886 1.00 0.00 C ATOM 227 C LEU A 41 4.487 -13.218 -6.046 1.00 0.00 C ATOM 228 O LEU A 41 4.751 -12.610 -7.081 1.00 0.00 O ATOM 229 CB LEU A 41 6.848 -13.917 -5.344 1.00 0.00 C ATOM 230 CG LEU A 41 8.086 -13.522 -4.505 1.00 0.00 C ATOM 231 CD1 LEU A 41 8.139 -14.172 -3.124 1.00 0.00 C ATOM 232 CD2 LEU A 41 9.365 -13.932 -5.237 1.00 0.00 C ATOM 0 H LEU A 41 5.602 -14.737 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 41 5.682 -12.214 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.733 -15.000 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.030 -13.648 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 41 8.006 -12.443 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.037 -13.843 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.258 -13.881 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.159 -15.256 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.232 -13.650 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.366 -15.011 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.410 -13.427 -6.202 1.00 0.00 H new ATOM 244 N ASP A 42 3.313 -13.838 -5.893 1.00 0.00 N ATOM 245 CA ASP A 42 2.184 -13.797 -6.838 1.00 0.00 C ATOM 246 C ASP A 42 1.435 -12.454 -6.960 1.00 0.00 C ATOM 247 O ASP A 42 0.634 -12.302 -7.884 1.00 0.00 O ATOM 248 CB ASP A 42 1.181 -14.898 -6.482 1.00 0.00 C ATOM 249 CG ASP A 42 0.712 -14.833 -5.027 1.00 0.00 C ATOM 250 OD1 ASP A 42 1.406 -15.421 -4.165 1.00 0.00 O ATOM 251 OD2 ASP A 42 -0.341 -14.215 -4.744 1.00 0.00 O ATOM 0 H ASP A 42 3.111 -14.408 -5.072 1.00 0.00 H new ATOM 0 HA ASP A 42 2.643 -13.949 -7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.316 -14.820 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.637 -15.871 -6.668 1.00 0.00 H new ATOM 256 N VAL A 43 1.669 -11.482 -6.071 1.00 0.00 N ATOM 257 CA VAL A 43 1.168 -10.101 -6.239 1.00 0.00 C ATOM 258 C VAL A 43 2.059 -9.310 -7.212 1.00 0.00 C ATOM 259 O VAL A 43 3.277 -9.500 -7.242 1.00 0.00 O ATOM 260 CB VAL A 43 1.071 -9.382 -4.874 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.445 -9.183 -4.227 1.00 0.00 C ATOM 262 CG2 VAL A 43 0.347 -8.030 -4.958 1.00 0.00 C ATOM 0 H VAL A 43 2.208 -11.623 -5.217 1.00 0.00 H new ATOM 0 HA VAL A 43 0.166 -10.154 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 43 0.476 -10.046 -4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.326 -8.674 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.915 -10.153 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.072 -8.580 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.311 -7.574 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.884 -7.372 -5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.668 -8.183 -5.324 1.00 0.00 H new ATOM 272 N GLN A 44 1.464 -8.392 -7.975 1.00 0.00 N ATOM 273 CA GLN A 44 2.174 -7.379 -8.771 1.00 0.00 C ATOM 274 C GLN A 44 1.228 -6.224 -9.156 1.00 0.00 C ATOM 275 O GLN A 44 0.141 -6.075 -8.587 1.00 0.00 O ATOM 276 CB GLN A 44 2.969 -7.968 -9.965 1.00 0.00 C ATOM 277 CG GLN A 44 2.186 -8.772 -11.013 1.00 0.00 C ATOM 278 CD GLN A 44 2.217 -10.272 -10.728 1.00 0.00 C ATOM 279 OE1 GLN A 44 3.218 -10.955 -10.911 1.00 0.00 O ATOM 280 NE2 GLN A 44 1.132 -10.842 -10.267 1.00 0.00 N ATOM 0 H GLN A 44 0.450 -8.327 -8.061 1.00 0.00 H new ATOM 0 HA GLN A 44 2.950 -6.954 -8.134 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.466 -7.144 -10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.751 -8.612 -9.563 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.152 -8.429 -11.034 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.605 -8.583 -12.001 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.291 -10.286 -10.110 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.128 -11.842 -10.065 1.00 0.00 H new ATOM 289 N GLU A 45 1.664 -5.341 -10.053 1.00 0.00 N ATOM 290 CA GLU A 45 0.982 -4.078 -10.360 1.00 0.00 C ATOM 291 C GLU A 45 -0.500 -4.233 -10.713 1.00 0.00 C ATOM 292 O GLU A 45 -1.283 -3.401 -10.286 1.00 0.00 O ATOM 293 CB GLU A 45 1.741 -3.311 -11.457 1.00 0.00 C ATOM 294 CG GLU A 45 2.309 -1.973 -10.980 1.00 0.00 C ATOM 295 CD GLU A 45 1.209 -0.925 -10.739 1.00 0.00 C ATOM 296 OE1 GLU A 45 0.606 -0.931 -9.642 1.00 0.00 O ATOM 297 OE2 GLU A 45 0.944 -0.102 -11.651 1.00 0.00 O ATOM 0 H GLU A 45 2.515 -5.482 -10.598 1.00 0.00 H new ATOM 0 HA GLU A 45 0.994 -3.496 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.557 -3.933 -11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.069 -3.134 -12.297 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.870 -2.127 -10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.012 -1.594 -11.721 1.00 0.00 H new ATOM 304 N SER A 46 -0.944 -5.283 -11.416 1.00 0.00 N ATOM 305 CA SER A 46 -2.380 -5.489 -11.685 1.00 0.00 C ATOM 306 C SER A 46 -3.233 -5.741 -10.425 1.00 0.00 C ATOM 307 O SER A 46 -4.402 -5.346 -10.367 1.00 0.00 O ATOM 308 CB SER A 46 -2.586 -6.619 -12.709 1.00 0.00 C ATOM 309 OG SER A 46 -1.733 -7.733 -12.489 1.00 0.00 O ATOM 0 H SER A 46 -0.336 -6.002 -11.809 1.00 0.00 H new ATOM 0 HA SER A 46 -2.736 -4.546 -12.100 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.624 -6.951 -12.671 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.412 -6.229 -13.712 1.00 0.00 H new ATOM 0 HG SER A 46 -2.205 -8.407 -11.956 1.00 0.00 H new ATOM 315 N GLU A 47 -2.661 -6.336 -9.377 1.00 0.00 N ATOM 316 CA GLU A 47 -3.347 -6.708 -8.149 1.00 0.00 C ATOM 317 C GLU A 47 -3.375 -5.507 -7.220 1.00 0.00 C ATOM 318 O GLU A 47 -4.395 -5.172 -6.620 1.00 0.00 O ATOM 319 CB GLU A 47 -2.532 -7.838 -7.518 1.00 0.00 C ATOM 320 CG GLU A 47 -2.809 -9.200 -8.154 1.00 0.00 C ATOM 321 CD GLU A 47 -2.234 -9.288 -9.574 1.00 0.00 C ATOM 322 OE1 GLU A 47 -0.995 -9.191 -9.711 1.00 0.00 O ATOM 323 OE2 GLU A 47 -2.998 -9.430 -10.558 1.00 0.00 O ATOM 0 H GLU A 47 -1.670 -6.579 -9.365 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.372 -7.028 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.470 -7.609 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.755 -7.888 -6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.375 -9.986 -7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.884 -9.376 -8.185 1.00 0.00 H new ATOM 330 N LEU A 48 -2.254 -4.792 -7.174 1.00 0.00 N ATOM 331 CA LEU A 48 -2.157 -3.507 -6.521 1.00 0.00 C ATOM 332 C LEU A 48 -3.096 -2.506 -7.224 1.00 0.00 C ATOM 333 O LEU A 48 -3.811 -1.783 -6.548 1.00 0.00 O ATOM 334 CB LEU A 48 -0.684 -3.103 -6.565 1.00 0.00 C ATOM 335 CG LEU A 48 0.273 -4.111 -5.910 1.00 0.00 C ATOM 336 CD1 LEU A 48 1.666 -4.037 -6.484 1.00 0.00 C ATOM 337 CD2 LEU A 48 0.479 -3.775 -4.463 1.00 0.00 C ATOM 0 H LEU A 48 -1.379 -5.101 -7.598 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.477 -3.534 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.389 -2.964 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.570 -2.139 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.186 -5.085 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.303 -4.769 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.631 -4.251 -7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.071 -3.037 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.159 -4.499 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.906 -2.776 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.478 -3.806 -3.942 1.00 0.00 H new ATOM 349 N ASN A 49 -3.200 -2.519 -8.549 1.00 0.00 N ATOM 350 CA ASN A 49 -4.204 -1.716 -9.284 1.00 0.00 C ATOM 351 C ASN A 49 -5.641 -2.050 -8.850 1.00 0.00 C ATOM 352 O ASN A 49 -6.429 -1.138 -8.612 1.00 0.00 O ATOM 353 CB ASN A 49 -4.078 -1.848 -10.810 1.00 0.00 C ATOM 354 CG ASN A 49 -3.201 -0.779 -11.438 1.00 0.00 C ATOM 355 OD1 ASN A 49 -3.670 0.189 -12.021 1.00 0.00 O ATOM 356 ND2 ASN A 49 -1.909 -0.937 -11.353 1.00 0.00 N ATOM 0 H ASN A 49 -2.599 -3.080 -9.153 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.990 -0.680 -9.021 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.669 -2.830 -11.050 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.072 -1.799 -11.255 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.283 -0.251 -11.774 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.525 -1.747 -10.865 1.00 0.00 H new ATOM 363 N GLU A 50 -5.987 -3.331 -8.705 1.00 0.00 N ATOM 364 CA GLU A 50 -7.291 -3.738 -8.158 1.00 0.00 C ATOM 365 C GLU A 50 -7.552 -3.236 -6.721 1.00 0.00 C ATOM 366 O GLU A 50 -8.686 -2.888 -6.386 1.00 0.00 O ATOM 367 CB GLU A 50 -7.392 -5.266 -8.196 1.00 0.00 C ATOM 368 CG GLU A 50 -7.893 -5.803 -9.544 1.00 0.00 C ATOM 369 CD GLU A 50 -9.378 -5.471 -9.793 1.00 0.00 C ATOM 370 OE1 GLU A 50 -10.265 -6.198 -9.287 1.00 0.00 O ATOM 371 OE2 GLU A 50 -9.673 -4.490 -10.524 1.00 0.00 O ATOM 0 H GLU A 50 -5.381 -4.111 -8.959 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.054 -3.274 -8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.413 -5.694 -7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.065 -5.599 -7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.289 -5.381 -10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.755 -6.884 -9.576 1.00 0.00 H new ATOM 378 N ILE A 51 -6.518 -3.196 -5.884 1.00 0.00 N ATOM 379 CA ILE A 51 -6.609 -2.833 -4.460 1.00 0.00 C ATOM 380 C ILE A 51 -6.574 -1.307 -4.232 1.00 0.00 C ATOM 381 O ILE A 51 -7.350 -0.797 -3.421 1.00 0.00 O ATOM 382 CB ILE A 51 -5.453 -3.543 -3.724 1.00 0.00 C ATOM 383 CG1 ILE A 51 -5.684 -5.075 -3.674 1.00 0.00 C ATOM 384 CG2 ILE A 51 -5.258 -3.027 -2.286 1.00 0.00 C ATOM 385 CD1 ILE A 51 -4.435 -5.887 -3.295 1.00 0.00 C ATOM 0 H ILE A 51 -5.567 -3.420 -6.178 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.571 -3.159 -4.065 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.552 -3.317 -4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.475 -5.289 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.040 -5.410 -4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.432 -3.561 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.033 -1.961 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.170 -3.193 -1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.681 -6.949 -3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.647 -5.706 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.089 -5.583 -2.307 1.00 0.00 H new ATOM 397 N PHE A 52 -5.699 -0.582 -4.935 1.00 0.00 N ATOM 398 CA PHE A 52 -5.390 0.845 -4.743 1.00 0.00 C ATOM 399 C PHE A 52 -6.055 1.773 -5.758 1.00 0.00 C ATOM 400 O PHE A 52 -6.396 2.910 -5.438 1.00 0.00 O ATOM 401 CB PHE A 52 -3.900 1.086 -4.870 1.00 0.00 C ATOM 402 CG PHE A 52 -3.095 0.456 -3.776 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.207 0.914 -2.452 1.00 0.00 C ATOM 404 CD2 PHE A 52 -2.257 -0.621 -4.075 1.00 0.00 C ATOM 405 CE1 PHE A 52 -2.521 0.255 -1.417 1.00 0.00 C ATOM 406 CE2 PHE A 52 -1.563 -1.256 -3.050 1.00 0.00 C ATOM 407 CZ PHE A 52 -1.677 -0.814 -1.742 1.00 0.00 C ATOM 0 H PHE A 52 -5.156 -0.993 -5.695 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.773 1.074 -3.749 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.558 0.699 -5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.713 2.160 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.821 1.774 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.149 -0.958 -5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.643 0.567 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.930 -2.101 -3.276 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.108 -1.300 -0.963 1.00 0.00 H new ATOM 417 N GLY A 53 -6.256 1.292 -6.986 1.00 0.00 N ATOM 418 CA GLY A 53 -6.977 2.006 -8.040 1.00 0.00 C ATOM 419 C GLY A 53 -8.354 2.565 -7.621 1.00 0.00 C ATOM 420 O GLY A 53 -8.684 3.663 -8.083 1.00 0.00 O ATOM 0 H GLY A 53 -5.915 0.377 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.357 2.832 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.116 1.332 -8.885 1.00 0.00 H new ATOM 424 N PRO A 54 -9.150 1.915 -6.740 1.00 0.00 N ATOM 425 CA PRO A 54 -10.389 2.500 -6.201 1.00 0.00 C ATOM 426 C PRO A 54 -10.199 3.826 -5.439 1.00 0.00 C ATOM 427 O PRO A 54 -11.130 4.631 -5.363 1.00 0.00 O ATOM 428 CB PRO A 54 -10.997 1.428 -5.287 1.00 0.00 C ATOM 429 CG PRO A 54 -10.376 0.124 -5.783 1.00 0.00 C ATOM 430 CD PRO A 54 -8.975 0.584 -6.159 1.00 0.00 C ATOM 0 HA PRO A 54 -11.041 2.770 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.755 1.612 -4.240 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.084 1.407 -5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.363 -0.645 -5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.915 -0.290 -6.635 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.324 0.618 -5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -8.515 -0.099 -6.872 1.00 0.00 H new ATOM 438 N PHE A 55 -9.008 4.071 -4.873 1.00 0.00 N ATOM 439 CA PHE A 55 -8.664 5.288 -4.118 1.00 0.00 C ATOM 440 C PHE A 55 -8.295 6.449 -5.026 1.00 0.00 C ATOM 441 O PHE A 55 -8.477 7.609 -4.657 1.00 0.00 O ATOM 442 CB PHE A 55 -7.465 5.011 -3.198 1.00 0.00 C ATOM 443 CG PHE A 55 -7.558 3.724 -2.409 1.00 0.00 C ATOM 444 CD1 PHE A 55 -8.820 3.259 -2.005 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.408 2.942 -2.186 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.951 2.004 -1.403 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.537 1.725 -1.484 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.807 1.252 -1.109 1.00 0.00 C ATOM 0 H PHE A 55 -8.234 3.409 -4.929 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.550 5.560 -3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.559 4.986 -3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.360 5.842 -2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.694 3.874 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.444 3.268 -2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.931 1.616 -1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.656 1.154 -1.233 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.900 0.308 -0.594 1.00 0.00 H new ATOM 458 N GLY A 56 -7.772 6.130 -6.205 1.00 0.00 N ATOM 459 CA GLY A 56 -7.512 7.087 -7.257 1.00 0.00 C ATOM 460 C GLY A 56 -6.097 6.972 -7.839 1.00 0.00 C ATOM 461 O GLY A 56 -5.916 6.312 -8.866 1.00 0.00 O ATOM 0 H GLY A 56 -7.514 5.175 -6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.240 6.946 -8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -7.657 8.095 -6.868 1.00 0.00 H new ATOM 465 N PRO A 57 -5.088 7.597 -7.198 1.00 0.00 N ATOM 466 CA PRO A 57 -3.707 7.604 -7.677 1.00 0.00 C ATOM 467 C PRO A 57 -2.932 6.325 -7.315 1.00 0.00 C ATOM 468 O PRO A 57 -3.346 5.551 -6.455 1.00 0.00 O ATOM 469 CB PRO A 57 -3.080 8.825 -6.996 1.00 0.00 C ATOM 470 CG PRO A 57 -3.789 8.864 -5.637 1.00 0.00 C ATOM 471 CD PRO A 57 -5.204 8.399 -5.981 1.00 0.00 C ATOM 0 HA PRO A 57 -3.673 7.646 -8.766 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.001 8.716 -6.885 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.251 9.738 -7.567 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.311 8.205 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.785 9.866 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.629 7.811 -5.167 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.866 9.251 -6.138 1.00 0.00 H new ATOM 479 N MET A 58 -1.778 6.151 -7.967 1.00 0.00 N ATOM 480 CA MET A 58 -0.676 5.206 -7.696 1.00 0.00 C ATOM 481 C MET A 58 0.559 5.862 -8.309 1.00 0.00 C ATOM 482 O MET A 58 0.763 5.864 -9.532 1.00 0.00 O ATOM 483 CB MET A 58 -0.837 3.802 -8.269 1.00 0.00 C ATOM 484 CG MET A 58 -2.276 3.286 -8.370 1.00 0.00 C ATOM 485 SD MET A 58 -2.409 1.532 -8.764 1.00 0.00 S ATOM 486 CE MET A 58 -1.559 0.902 -7.295 1.00 0.00 C ATOM 0 H MET A 58 -1.565 6.725 -8.783 1.00 0.00 H new ATOM 0 HA MET A 58 -0.628 5.039 -6.620 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.393 3.783 -9.264 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.265 3.110 -7.651 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.784 3.473 -7.424 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.802 3.859 -9.133 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.004 -0.047 -6.996 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.503 0.753 -7.522 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.657 1.621 -6.482 1.00 0.00 H new ATOM 496 N LYS A 59 1.326 6.539 -7.475 1.00 0.00 N ATOM 497 CA LYS A 59 2.409 7.427 -7.858 1.00 0.00 C ATOM 498 C LYS A 59 3.771 6.739 -7.759 1.00 0.00 C ATOM 499 O LYS A 59 4.719 7.120 -8.437 1.00 0.00 O ATOM 500 CB LYS A 59 2.221 8.578 -6.885 1.00 0.00 C ATOM 501 CG LYS A 59 2.803 9.907 -7.272 1.00 0.00 C ATOM 502 CD LYS A 59 4.263 10.133 -6.910 1.00 0.00 C ATOM 503 CE LYS A 59 4.773 9.604 -5.572 1.00 0.00 C ATOM 504 NZ LYS A 59 6.238 9.806 -5.450 1.00 0.00 N ATOM 0 H LYS A 59 1.205 6.482 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 59 2.386 7.753 -8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.151 8.712 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.654 8.286 -5.928 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.695 10.027 -8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.209 10.691 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.872 9.687 -7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.448 11.207 -6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.262 10.114 -4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.539 8.543 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.644 9.055 -4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.673 9.773 -6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.426 10.732 -5.015 1.00 0.00 H new ATOM 518 N GLU A 60 3.834 5.696 -6.934 1.00 0.00 N ATOM 519 CA GLU A 60 4.930 4.725 -6.856 1.00 0.00 C ATOM 520 C GLU A 60 4.436 3.425 -6.246 1.00 0.00 C ATOM 521 O GLU A 60 3.392 3.362 -5.602 1.00 0.00 O ATOM 522 CB GLU A 60 6.185 5.293 -6.160 1.00 0.00 C ATOM 523 CG GLU A 60 7.394 5.395 -7.099 1.00 0.00 C ATOM 524 CD GLU A 60 8.299 4.153 -7.097 1.00 0.00 C ATOM 525 OE1 GLU A 60 7.790 3.015 -7.216 1.00 0.00 O ATOM 526 OE2 GLU A 60 9.541 4.292 -6.992 1.00 0.00 O ATOM 0 H GLU A 60 3.088 5.493 -6.269 1.00 0.00 H new ATOM 0 HA GLU A 60 5.260 4.504 -7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.957 6.281 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.443 4.658 -5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.038 5.570 -8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.988 6.264 -6.816 1.00 0.00 H new ATOM 533 N VAL A 61 5.166 2.365 -6.563 1.00 0.00 N ATOM 534 CA VAL A 61 4.771 0.973 -6.364 1.00 0.00 C ATOM 535 C VAL A 61 6.041 0.140 -6.276 1.00 0.00 C ATOM 536 O VAL A 61 6.502 -0.484 -7.229 1.00 0.00 O ATOM 537 CB VAL A 61 3.847 0.482 -7.515 1.00 0.00 C ATOM 538 CG1 VAL A 61 3.038 -0.719 -7.034 1.00 0.00 C ATOM 539 CG2 VAL A 61 2.855 1.495 -8.116 1.00 0.00 C ATOM 0 H VAL A 61 6.091 2.453 -6.985 1.00 0.00 H new ATOM 0 HA VAL A 61 4.196 0.872 -5.444 1.00 0.00 H new ATOM 0 HB VAL A 61 4.548 0.257 -8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.389 -1.066 -7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.716 -1.521 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.430 -0.429 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.278 1.014 -8.906 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.179 1.848 -7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.404 2.340 -8.531 1.00 0.00 H new ATOM 549 N LYS A 62 6.662 0.185 -5.100 1.00 0.00 N ATOM 550 CA LYS A 62 7.830 -0.636 -4.777 1.00 0.00 C ATOM 551 C LYS A 62 7.300 -2.041 -4.497 1.00 0.00 C ATOM 552 O LYS A 62 6.436 -2.188 -3.642 1.00 0.00 O ATOM 553 CB LYS A 62 8.544 -0.019 -3.568 1.00 0.00 C ATOM 554 CG LYS A 62 8.834 1.496 -3.708 1.00 0.00 C ATOM 555 CD LYS A 62 10.304 1.818 -4.024 1.00 0.00 C ATOM 556 CE LYS A 62 10.834 1.132 -5.289 1.00 0.00 C ATOM 557 NZ LYS A 62 10.178 1.624 -6.530 1.00 0.00 N ATOM 0 H LYS A 62 6.368 0.796 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 62 8.561 -0.683 -5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.935 -0.180 -2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.485 -0.545 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.204 1.906 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.552 1.998 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.413 2.897 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.921 1.521 -3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.909 1.296 -5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.681 0.056 -5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.598 1.151 -7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.160 1.414 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.316 2.651 -6.612 1.00 0.00 H new ATOM 571 N ILE A 63 7.766 -3.054 -5.225 1.00 0.00 N ATOM 572 CA ILE A 63 7.265 -4.441 -5.139 1.00 0.00 C ATOM 573 C ILE A 63 8.438 -5.413 -4.985 1.00 0.00 C ATOM 574 O ILE A 63 9.374 -5.424 -5.792 1.00 0.00 O ATOM 575 CB ILE A 63 6.356 -4.821 -6.339 1.00 0.00 C ATOM 576 CG1 ILE A 63 5.224 -3.793 -6.561 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.748 -6.220 -6.106 1.00 0.00 C ATOM 578 CD1 ILE A 63 4.402 -3.999 -7.848 1.00 0.00 C ATOM 0 H ILE A 63 8.516 -2.941 -5.906 1.00 0.00 H new ATOM 0 HA ILE A 63 6.634 -4.513 -4.253 1.00 0.00 H new ATOM 0 HB ILE A 63 6.977 -4.825 -7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.548 -3.829 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.659 -2.794 -6.582 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.110 -6.485 -6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.549 -6.954 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.155 -6.211 -5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.633 -3.230 -7.915 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.060 -3.931 -8.715 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.931 -4.982 -7.826 1.00 0.00 H new ATOM 590 N LEU A 64 8.371 -6.197 -3.916 1.00 0.00 N ATOM 591 CA LEU A 64 9.418 -7.060 -3.376 1.00 0.00 C ATOM 592 C LEU A 64 8.841 -8.464 -3.063 1.00 0.00 C ATOM 593 O LEU A 64 7.667 -8.724 -3.322 1.00 0.00 O ATOM 594 CB LEU A 64 10.058 -6.427 -2.123 1.00 0.00 C ATOM 595 CG LEU A 64 10.448 -4.938 -2.087 1.00 0.00 C ATOM 596 CD1 LEU A 64 11.590 -4.639 -3.036 1.00 0.00 C ATOM 597 CD2 LEU A 64 9.375 -3.877 -2.282 1.00 0.00 C ATOM 0 H LEU A 64 7.518 -6.251 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 64 10.202 -7.171 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.369 -6.595 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.961 -6.997 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 64 10.724 -4.840 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.838 -3.579 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.461 -5.230 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.293 -4.893 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.828 -2.887 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.907 -4.008 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.620 -3.975 -1.502 1.00 0.00 H new ATOM 609 N ASN A 65 9.667 -9.336 -2.465 1.00 0.00 N ATOM 610 CA ASN A 65 9.528 -10.775 -2.123 1.00 0.00 C ATOM 611 C ASN A 65 8.270 -11.223 -1.318 1.00 0.00 C ATOM 612 O ASN A 65 8.359 -11.953 -0.325 1.00 0.00 O ATOM 613 CB ASN A 65 10.777 -11.147 -1.316 1.00 0.00 C ATOM 614 CG ASN A 65 12.089 -10.677 -1.913 1.00 0.00 C ATOM 615 OD1 ASN A 65 12.509 -11.115 -2.979 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.742 -9.725 -1.285 1.00 0.00 N ATOM 0 H ASN A 65 10.584 -9.006 -2.164 1.00 0.00 H new ATOM 0 HA ASN A 65 9.409 -11.290 -3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.681 -10.730 -0.314 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.812 -12.231 -1.208 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.602 -9.347 -1.684 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.389 -9.364 -0.399 1.00 0.00 H new ATOM 623 N GLY A 66 7.092 -10.764 -1.709 1.00 0.00 N ATOM 624 CA GLY A 66 5.842 -10.858 -0.972 1.00 0.00 C ATOM 625 C GLY A 66 5.482 -9.552 -0.254 1.00 0.00 C ATOM 626 O GLY A 66 4.767 -9.559 0.744 1.00 0.00 O ATOM 0 H GLY A 66 6.976 -10.287 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.039 -11.124 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.915 -11.662 -0.240 1.00 0.00 H new ATOM 630 N PHE A 67 6.000 -8.424 -0.755 1.00 0.00 N ATOM 631 CA PHE A 67 5.806 -7.099 -0.155 1.00 0.00 C ATOM 632 C PHE A 67 5.494 -6.057 -1.221 1.00 0.00 C ATOM 633 O PHE A 67 6.013 -6.114 -2.337 1.00 0.00 O ATOM 634 CB PHE A 67 7.078 -6.679 0.594 1.00 0.00 C ATOM 635 CG PHE A 67 7.653 -7.743 1.514 1.00 0.00 C ATOM 636 CD1 PHE A 67 6.925 -8.127 2.650 1.00 0.00 C ATOM 637 CD2 PHE A 67 8.845 -8.423 1.193 1.00 0.00 C ATOM 638 CE1 PHE A 67 7.337 -9.215 3.433 1.00 0.00 C ATOM 639 CE2 PHE A 67 9.274 -9.497 1.999 1.00 0.00 C ATOM 640 CZ PHE A 67 8.517 -9.901 3.110 1.00 0.00 C ATOM 0 H PHE A 67 6.573 -8.406 -1.599 1.00 0.00 H new ATOM 0 HA PHE A 67 4.965 -7.160 0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.838 -6.400 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.859 -5.788 1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.036 -7.578 2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.427 -8.123 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.747 -9.524 4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.192 -10.013 1.760 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.842 -10.736 3.713 1.00 0.00 H new ATOM 650 N ALA A 68 4.710 -5.057 -0.856 1.00 0.00 N ATOM 651 CA ALA A 68 4.476 -3.862 -1.646 1.00 0.00 C ATOM 652 C ALA A 68 4.464 -2.638 -0.729 1.00 0.00 C ATOM 653 O ALA A 68 3.866 -2.650 0.337 1.00 0.00 O ATOM 654 CB ALA A 68 3.192 -4.035 -2.446 1.00 0.00 C ATOM 0 H ALA A 68 4.202 -5.055 0.029 1.00 0.00 H new ATOM 0 HA ALA A 68 5.279 -3.703 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.011 -3.140 -3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.288 -4.897 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.357 -4.192 -1.764 1.00 0.00 H new ATOM 660 N PHE A 69 5.137 -1.590 -1.193 1.00 0.00 N ATOM 661 CA PHE A 69 5.199 -0.269 -0.591 1.00 0.00 C ATOM 662 C PHE A 69 4.797 0.704 -1.677 1.00 0.00 C ATOM 663 O PHE A 69 5.607 1.228 -2.454 1.00 0.00 O ATOM 664 CB PHE A 69 6.564 0.065 0.030 1.00 0.00 C ATOM 665 CG PHE A 69 7.189 -1.035 0.857 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.772 -2.142 0.213 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.209 -0.944 2.264 1.00 0.00 C ATOM 668 CE1 PHE A 69 8.348 -3.187 0.958 1.00 0.00 C ATOM 669 CE2 PHE A 69 7.791 -1.984 3.009 1.00 0.00 C ATOM 670 CZ PHE A 69 8.347 -3.108 2.361 1.00 0.00 C ATOM 0 H PHE A 69 5.686 -1.647 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 69 4.521 -0.212 0.260 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.253 0.329 -0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.451 0.949 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.777 -2.190 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.783 -0.086 2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.785 -4.039 0.458 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.813 -1.923 4.087 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.773 -3.910 2.945 1.00 0.00 H new ATOM 680 N VAL A 70 3.484 0.821 -1.813 1.00 0.00 N ATOM 681 CA VAL A 70 2.880 1.745 -2.761 1.00 0.00 C ATOM 682 C VAL A 70 2.997 3.151 -2.196 1.00 0.00 C ATOM 683 O VAL A 70 3.313 3.337 -1.018 1.00 0.00 O ATOM 684 CB VAL A 70 1.474 1.258 -3.175 1.00 0.00 C ATOM 685 CG1 VAL A 70 0.987 1.731 -4.534 1.00 0.00 C ATOM 686 CG2 VAL A 70 1.544 -0.230 -3.471 1.00 0.00 C ATOM 0 H VAL A 70 2.810 0.280 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 70 3.408 1.777 -3.714 1.00 0.00 H new ATOM 0 HB VAL A 70 0.842 1.609 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.009 1.331 -4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.949 2.820 -4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.671 1.382 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.558 -0.589 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.251 -0.407 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.873 -0.763 -2.579 1.00 0.00 H new ATOM 696 N GLU A 71 2.811 4.162 -3.013 1.00 0.00 N ATOM 697 CA GLU A 71 3.126 5.538 -2.665 1.00 0.00 C ATOM 698 C GLU A 71 2.274 6.472 -3.517 1.00 0.00 C ATOM 699 O GLU A 71 2.021 6.203 -4.698 1.00 0.00 O ATOM 700 CB GLU A 71 4.619 5.756 -2.960 1.00 0.00 C ATOM 701 CG GLU A 71 5.161 7.094 -2.452 1.00 0.00 C ATOM 702 CD GLU A 71 6.676 7.226 -2.688 1.00 0.00 C ATOM 703 OE1 GLU A 71 7.467 6.517 -2.021 1.00 0.00 O ATOM 704 OE2 GLU A 71 7.088 8.080 -3.502 1.00 0.00 O ATOM 0 H GLU A 71 2.431 4.055 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 71 2.918 5.742 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.191 4.947 -2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.780 5.695 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.643 7.910 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.950 7.191 -1.387 1.00 0.00 H new ATOM 711 N PHE A 72 1.878 7.591 -2.921 1.00 0.00 N ATOM 712 CA PHE A 72 1.076 8.636 -3.550 1.00 0.00 C ATOM 713 C PHE A 72 1.723 10.025 -3.402 1.00 0.00 C ATOM 714 O PHE A 72 2.711 10.199 -2.689 1.00 0.00 O ATOM 715 CB PHE A 72 -0.356 8.581 -2.992 1.00 0.00 C ATOM 716 CG PHE A 72 -1.073 7.230 -2.926 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.047 6.331 -4.012 1.00 0.00 C ATOM 718 CD2 PHE A 72 -1.880 6.921 -1.814 1.00 0.00 C ATOM 719 CE1 PHE A 72 -1.795 5.139 -3.968 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.698 5.779 -1.806 1.00 0.00 C ATOM 721 CZ PHE A 72 -2.652 4.882 -2.881 1.00 0.00 C ATOM 0 H PHE A 72 2.115 7.804 -1.952 1.00 0.00 H new ATOM 0 HA PHE A 72 1.030 8.454 -4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.332 8.991 -1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.970 9.251 -3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.450 6.558 -4.883 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.870 7.573 -0.953 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.711 4.420 -4.770 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.360 5.593 -0.974 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.271 3.997 -2.876 1.00 0.00 H new ATOM 731 N GLU A 73 1.171 11.027 -4.089 1.00 0.00 N ATOM 732 CA GLU A 73 1.581 12.446 -3.967 1.00 0.00 C ATOM 733 C GLU A 73 0.522 13.324 -3.249 1.00 0.00 C ATOM 734 O GLU A 73 0.615 14.552 -3.234 1.00 0.00 O ATOM 735 CB GLU A 73 2.017 13.023 -5.318 1.00 0.00 C ATOM 736 CG GLU A 73 0.900 13.080 -6.369 1.00 0.00 C ATOM 737 CD GLU A 73 1.397 13.669 -7.712 1.00 0.00 C ATOM 738 OE1 GLU A 73 2.369 13.141 -8.298 1.00 0.00 O ATOM 739 OE2 GLU A 73 0.806 14.664 -8.194 1.00 0.00 O ATOM 0 H GLU A 73 0.415 10.884 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 73 2.456 12.466 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.405 14.030 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.838 12.422 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.508 12.077 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.076 13.685 -5.990 1.00 0.00 H new ATOM 746 N GLU A 74 -0.495 12.693 -2.660 1.00 0.00 N ATOM 747 CA GLU A 74 -1.680 13.305 -2.038 1.00 0.00 C ATOM 748 C GLU A 74 -1.887 12.675 -0.652 1.00 0.00 C ATOM 749 O GLU A 74 -2.231 11.499 -0.553 1.00 0.00 O ATOM 750 CB GLU A 74 -2.884 13.057 -2.982 1.00 0.00 C ATOM 751 CG GLU A 74 -4.253 13.522 -2.455 1.00 0.00 C ATOM 752 CD GLU A 74 -5.439 12.977 -3.287 1.00 0.00 C ATOM 753 OE1 GLU A 74 -5.476 13.200 -4.518 1.00 0.00 O ATOM 754 OE2 GLU A 74 -6.356 12.336 -2.710 1.00 0.00 O ATOM 0 H GLU A 74 -0.519 11.675 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.564 14.380 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.690 13.561 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.941 11.990 -3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.365 13.201 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.286 14.612 -2.457 1.00 0.00 H new ATOM 761 N ALA A 75 -1.691 13.413 0.442 1.00 0.00 N ATOM 762 CA ALA A 75 -1.871 12.854 1.796 1.00 0.00 C ATOM 763 C ALA A 75 -3.308 12.349 2.055 1.00 0.00 C ATOM 764 O ALA A 75 -3.509 11.360 2.757 1.00 0.00 O ATOM 765 CB ALA A 75 -1.435 13.892 2.836 1.00 0.00 C ATOM 0 H ALA A 75 -1.409 14.393 0.425 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.237 11.971 1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.567 13.482 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.385 14.143 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.042 14.791 2.729 1.00 0.00 H new ATOM 771 N GLU A 76 -4.310 12.965 1.418 1.00 0.00 N ATOM 772 CA GLU A 76 -5.710 12.512 1.437 1.00 0.00 C ATOM 773 C GLU A 76 -5.921 11.159 0.741 1.00 0.00 C ATOM 774 O GLU A 76 -6.897 10.459 1.028 1.00 0.00 O ATOM 775 CB GLU A 76 -6.614 13.534 0.735 1.00 0.00 C ATOM 776 CG GLU A 76 -6.569 14.953 1.317 1.00 0.00 C ATOM 777 CD GLU A 76 -7.131 15.007 2.753 1.00 0.00 C ATOM 778 OE1 GLU A 76 -8.362 15.182 2.928 1.00 0.00 O ATOM 779 OE2 GLU A 76 -6.347 14.885 3.725 1.00 0.00 O ATOM 0 H GLU A 76 -4.170 13.809 0.863 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.967 12.406 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.334 13.581 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.642 13.174 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.540 15.312 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.142 15.625 0.678 1.00 0.00 H new ATOM 786 N SER A 77 -5.046 10.781 -0.188 1.00 0.00 N ATOM 787 CA SER A 77 -5.129 9.500 -0.889 1.00 0.00 C ATOM 788 C SER A 77 -4.661 8.355 -0.012 1.00 0.00 C ATOM 789 O SER A 77 -5.300 7.304 0.030 1.00 0.00 O ATOM 790 CB SER A 77 -4.371 9.570 -2.206 1.00 0.00 C ATOM 791 OG SER A 77 -2.988 9.538 -2.049 1.00 0.00 O ATOM 0 H SER A 77 -4.255 11.357 -0.478 1.00 0.00 H new ATOM 0 HA SER A 77 -6.175 9.298 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.677 8.736 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.649 10.485 -2.729 1.00 0.00 H new ATOM 0 HG SER A 77 -2.632 8.719 -2.453 1.00 0.00 H new ATOM 797 N ALA A 78 -3.618 8.596 0.780 1.00 0.00 N ATOM 798 CA ALA A 78 -3.238 7.687 1.852 1.00 0.00 C ATOM 799 C ALA A 78 -4.310 7.665 2.947 1.00 0.00 C ATOM 800 O ALA A 78 -4.706 6.578 3.348 1.00 0.00 O ATOM 801 CB ALA A 78 -1.859 8.049 2.389 1.00 0.00 C ATOM 0 H ALA A 78 -3.020 9.418 0.696 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.172 6.673 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.588 7.361 3.190 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.126 7.978 1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.875 9.068 2.776 1.00 0.00 H new ATOM 807 N ALA A 79 -4.851 8.818 3.371 1.00 0.00 N ATOM 808 CA ALA A 79 -5.927 8.905 4.371 1.00 0.00 C ATOM 809 C ALA A 79 -7.120 8.002 4.017 1.00 0.00 C ATOM 810 O ALA A 79 -7.535 7.155 4.822 1.00 0.00 O ATOM 811 CB ALA A 79 -6.359 10.368 4.522 1.00 0.00 C ATOM 0 H ALA A 79 -4.549 9.728 3.024 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.543 8.543 5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.156 10.437 5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.508 10.967 4.848 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.720 10.742 3.564 1.00 0.00 H new ATOM 817 N LYS A 80 -7.632 8.123 2.787 1.00 0.00 N ATOM 818 CA LYS A 80 -8.696 7.227 2.329 1.00 0.00 C ATOM 819 C LYS A 80 -8.223 5.791 2.183 1.00 0.00 C ATOM 820 O LYS A 80 -8.924 4.904 2.645 1.00 0.00 O ATOM 821 CB LYS A 80 -9.400 7.745 1.070 1.00 0.00 C ATOM 822 CG LYS A 80 -8.573 7.693 -0.209 1.00 0.00 C ATOM 823 CD LYS A 80 -9.343 8.333 -1.387 1.00 0.00 C ATOM 824 CE LYS A 80 -8.533 9.353 -2.202 1.00 0.00 C ATOM 825 NZ LYS A 80 -8.367 10.661 -1.511 1.00 0.00 N ATOM 0 H LYS A 80 -7.333 8.819 2.104 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.449 7.221 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.310 7.164 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.705 8.777 1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.629 8.217 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.329 6.658 -0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.682 7.541 -2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.234 8.825 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.549 8.936 -2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.027 9.516 -3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.703 11.255 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.288 11.140 -1.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.994 10.503 -0.553 1.00 0.00 H new ATOM 839 N ALA A 81 -7.037 5.545 1.624 1.00 0.00 N ATOM 840 CA ALA A 81 -6.535 4.180 1.464 1.00 0.00 C ATOM 841 C ALA A 81 -6.469 3.461 2.829 1.00 0.00 C ATOM 842 O ALA A 81 -6.892 2.310 2.959 1.00 0.00 O ATOM 843 CB ALA A 81 -5.182 4.177 0.724 1.00 0.00 C ATOM 0 H ALA A 81 -6.409 6.270 1.276 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.232 3.617 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.828 3.152 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.306 4.623 -0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.454 4.754 1.294 1.00 0.00 H new ATOM 849 N ILE A 82 -6.023 4.170 3.883 1.00 0.00 N ATOM 850 CA ILE A 82 -6.042 3.710 5.274 1.00 0.00 C ATOM 851 C ILE A 82 -7.468 3.337 5.683 1.00 0.00 C ATOM 852 O ILE A 82 -7.745 2.181 5.998 1.00 0.00 O ATOM 853 CB ILE A 82 -5.466 4.766 6.249 1.00 0.00 C ATOM 854 CG1 ILE A 82 -3.973 5.064 6.018 1.00 0.00 C ATOM 855 CG2 ILE A 82 -5.631 4.341 7.727 1.00 0.00 C ATOM 856 CD1 ILE A 82 -3.631 6.514 6.349 1.00 0.00 C ATOM 0 H ILE A 82 -5.629 5.105 3.781 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.402 2.830 5.335 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.045 5.666 6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.369 4.398 6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.717 4.857 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.213 5.111 8.376 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.690 4.212 7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.107 3.400 7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.569 6.686 6.174 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.216 7.180 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.863 6.713 7.395 1.00 0.00 H new ATOM 868 N GLU A 83 -8.397 4.293 5.648 1.00 0.00 N ATOM 869 CA GLU A 83 -9.768 4.036 6.108 1.00 0.00 C ATOM 870 C GLU A 83 -10.479 2.924 5.297 1.00 0.00 C ATOM 871 O GLU A 83 -11.267 2.160 5.864 1.00 0.00 O ATOM 872 CB GLU A 83 -10.564 5.345 6.099 1.00 0.00 C ATOM 873 CG GLU A 83 -10.044 6.367 7.122 1.00 0.00 C ATOM 874 CD GLU A 83 -10.214 5.891 8.577 1.00 0.00 C ATOM 875 OE1 GLU A 83 -11.329 6.025 9.144 1.00 0.00 O ATOM 876 OE2 GLU A 83 -9.236 5.390 9.181 1.00 0.00 O ATOM 0 H GLU A 83 -8.232 5.241 5.311 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.713 3.658 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.522 5.783 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.612 5.129 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.989 6.563 6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.574 7.310 6.988 1.00 0.00 H new ATOM 883 N GLU A 84 -10.146 2.764 4.020 1.00 0.00 N ATOM 884 CA GLU A 84 -10.743 1.794 3.085 1.00 0.00 C ATOM 885 C GLU A 84 -10.332 0.348 3.373 1.00 0.00 C ATOM 886 O GLU A 84 -11.177 -0.551 3.334 1.00 0.00 O ATOM 887 CB GLU A 84 -10.287 2.086 1.642 1.00 0.00 C ATOM 888 CG GLU A 84 -10.918 3.325 1.004 1.00 0.00 C ATOM 889 CD GLU A 84 -12.258 3.021 0.308 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.214 2.566 0.974 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.375 3.253 -0.918 1.00 0.00 O ATOM 0 H GLU A 84 -9.420 3.329 3.581 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.820 1.902 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.203 2.204 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.516 1.219 1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.076 4.083 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.224 3.747 0.277 1.00 0.00 H new ATOM 898 N VAL A 85 -9.043 0.109 3.650 1.00 0.00 N ATOM 899 CA VAL A 85 -8.483 -1.255 3.644 1.00 0.00 C ATOM 900 C VAL A 85 -7.304 -1.491 4.614 1.00 0.00 C ATOM 901 O VAL A 85 -6.775 -2.596 4.686 1.00 0.00 O ATOM 902 CB VAL A 85 -8.204 -1.631 2.165 1.00 0.00 C ATOM 903 CG1 VAL A 85 -6.991 -0.894 1.613 1.00 0.00 C ATOM 904 CG2 VAL A 85 -8.129 -3.139 1.924 1.00 0.00 C ATOM 0 H VAL A 85 -8.368 0.838 3.881 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.216 -1.945 4.062 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.072 -1.292 1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.830 -1.185 0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.163 0.181 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.111 -1.150 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.932 -3.329 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.326 -3.564 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.076 -3.600 2.205 1.00 0.00 H new ATOM 914 N HIS A 86 -6.911 -0.518 5.448 1.00 0.00 N ATOM 915 CA HIS A 86 -5.967 -0.771 6.550 1.00 0.00 C ATOM 916 C HIS A 86 -6.621 -1.613 7.656 1.00 0.00 C ATOM 917 O HIS A 86 -7.664 -1.250 8.203 1.00 0.00 O ATOM 918 CB HIS A 86 -5.463 0.536 7.172 1.00 0.00 C ATOM 919 CG HIS A 86 -4.365 0.361 8.195 1.00 0.00 C ATOM 920 ND1 HIS A 86 -3.057 0.746 8.038 1.00 0.00 N ATOM 921 CD2 HIS A 86 -4.482 -0.134 9.466 1.00 0.00 C ATOM 922 CE1 HIS A 86 -2.393 0.478 9.175 1.00 0.00 C ATOM 923 NE2 HIS A 86 -3.222 -0.068 10.078 1.00 0.00 N ATOM 0 H HIS A 86 -7.230 0.449 5.382 1.00 0.00 H new ATOM 0 HA HIS A 86 -5.126 -1.314 6.119 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.100 1.186 6.376 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.303 1.047 7.643 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.656 1.165 7.199 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.388 -0.510 9.919 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.344 0.674 9.339 1.00 0.00 H new ATOM 931 N GLY A 87 -5.998 -2.743 7.974 1.00 0.00 N ATOM 932 CA GLY A 87 -6.353 -3.635 9.089 1.00 0.00 C ATOM 933 C GLY A 87 -7.389 -4.679 8.683 1.00 0.00 C ATOM 934 O GLY A 87 -7.659 -5.638 9.406 1.00 0.00 O ATOM 0 H GLY A 87 -5.196 -3.083 7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.456 -4.137 9.450 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.742 -3.042 9.917 1.00 0.00 H new ATOM 938 N LYS A 88 -7.946 -4.484 7.487 1.00 0.00 N ATOM 939 CA LYS A 88 -8.767 -5.411 6.735 1.00 0.00 C ATOM 940 C LYS A 88 -7.854 -6.475 6.140 1.00 0.00 C ATOM 941 O LYS A 88 -6.731 -6.180 5.713 1.00 0.00 O ATOM 942 CB LYS A 88 -9.469 -4.607 5.640 1.00 0.00 C ATOM 943 CG LYS A 88 -10.806 -3.984 6.091 1.00 0.00 C ATOM 944 CD LYS A 88 -10.725 -2.818 7.108 1.00 0.00 C ATOM 945 CE LYS A 88 -10.500 -1.466 6.420 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.326 -0.350 7.382 1.00 0.00 N ATOM 0 H LYS A 88 -7.820 -3.604 6.988 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.514 -5.905 7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.804 -3.813 5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.651 -5.257 4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.330 -3.626 5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.419 -4.773 6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.647 -2.780 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.913 -3.006 7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.618 -1.531 5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.348 -1.250 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.482 0.556 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.013 -0.449 8.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.361 -0.373 7.769 1.00 0.00 H new ATOM 960 N SER A 89 -8.339 -7.709 6.109 1.00 0.00 N ATOM 961 CA SER A 89 -7.543 -8.859 5.671 1.00 0.00 C ATOM 962 C SER A 89 -7.724 -9.144 4.189 1.00 0.00 C ATOM 963 O SER A 89 -8.839 -9.325 3.693 1.00 0.00 O ATOM 964 CB SER A 89 -7.809 -10.124 6.480 1.00 0.00 C ATOM 965 OG SER A 89 -7.516 -9.912 7.852 1.00 0.00 O ATOM 0 H SER A 89 -9.292 -7.946 6.385 1.00 0.00 H new ATOM 0 HA SER A 89 -6.507 -8.571 5.851 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.852 -10.421 6.367 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.201 -10.943 6.095 1.00 0.00 H new ATOM 0 HG SER A 89 -7.694 -10.734 8.355 1.00 0.00 H new ATOM 971 N PHE A 90 -6.588 -9.236 3.509 1.00 0.00 N ATOM 972 CA PHE A 90 -6.477 -9.675 2.131 1.00 0.00 C ATOM 973 C PHE A 90 -5.693 -10.994 2.070 1.00 0.00 C ATOM 974 O PHE A 90 -4.798 -11.212 2.885 1.00 0.00 O ATOM 975 CB PHE A 90 -5.774 -8.552 1.382 1.00 0.00 C ATOM 976 CG PHE A 90 -6.048 -8.575 -0.096 1.00 0.00 C ATOM 977 CD1 PHE A 90 -5.328 -9.432 -0.942 1.00 0.00 C ATOM 978 CD2 PHE A 90 -7.107 -7.796 -0.599 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.683 -9.531 -2.298 1.00 0.00 C ATOM 980 CE2 PHE A 90 -7.456 -7.890 -1.954 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.755 -8.771 -2.800 1.00 0.00 C ATOM 0 H PHE A 90 -5.686 -8.997 3.922 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.448 -9.872 1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.093 -7.593 1.791 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.699 -8.628 1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.505 -10.013 -0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.648 -7.129 0.056 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.133 -10.190 -2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -8.261 -7.288 -2.348 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.041 -8.863 -3.837 1.00 0.00 H new ATOM 991 N ALA A 91 -6.019 -11.865 1.110 1.00 0.00 N ATOM 992 CA ALA A 91 -5.493 -13.227 0.913 1.00 0.00 C ATOM 993 C ALA A 91 -5.630 -14.188 2.132 1.00 0.00 C ATOM 994 O ALA A 91 -6.283 -15.228 2.018 1.00 0.00 O ATOM 995 CB ALA A 91 -4.049 -13.119 0.397 1.00 0.00 C ATOM 0 H ALA A 91 -6.707 -11.623 0.397 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.126 -13.711 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.641 -14.118 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.040 -12.576 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.440 -12.586 1.128 1.00 0.00 H new ATOM 1001 N ASN A 92 -5.043 -13.842 3.278 1.00 0.00 N ATOM 1002 CA ASN A 92 -5.062 -14.586 4.543 1.00 0.00 C ATOM 1003 C ASN A 92 -4.807 -13.719 5.808 1.00 0.00 C ATOM 1004 O ASN A 92 -4.894 -14.249 6.915 1.00 0.00 O ATOM 1005 CB ASN A 92 -4.010 -15.713 4.452 1.00 0.00 C ATOM 1006 CG ASN A 92 -2.576 -15.199 4.439 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -2.102 -14.600 3.488 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -1.839 -15.390 5.506 1.00 0.00 N ATOM 0 H ASN A 92 -4.506 -12.978 3.355 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.071 -14.980 4.669 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.138 -16.390 5.297 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.188 -16.295 3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.882 -15.039 5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.223 -15.889 6.308 1.00 0.00 H new ATOM 1015 N GLN A 93 -4.455 -12.428 5.674 1.00 0.00 N ATOM 1016 CA GLN A 93 -3.966 -11.579 6.786 1.00 0.00 C ATOM 1017 C GLN A 93 -4.045 -10.074 6.434 1.00 0.00 C ATOM 1018 O GLN A 93 -4.285 -9.733 5.275 1.00 0.00 O ATOM 1019 CB GLN A 93 -2.543 -12.042 7.198 1.00 0.00 C ATOM 1020 CG GLN A 93 -1.484 -11.974 6.096 1.00 0.00 C ATOM 1021 CD GLN A 93 -0.166 -12.667 6.455 1.00 0.00 C ATOM 1022 OE1 GLN A 93 0.470 -13.346 5.520 1.00 0.00 O flip ATOM 1023 NE2 GLN A 93 0.315 -12.624 7.579 1.00 0.00 N flip ATOM 0 H GLN A 93 -4.501 -11.935 4.782 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.617 -11.702 7.651 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.209 -11.431 8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.604 -13.069 7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.887 -12.428 5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.282 -10.928 5.865 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.160 -12.105 8.317 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.191 -13.107 7.778 1.00 0.00 H new ATOM 1032 N PRO A 94 -3.929 -9.147 7.401 1.00 0.00 N ATOM 1033 CA PRO A 94 -4.188 -7.728 7.145 1.00 0.00 C ATOM 1034 C PRO A 94 -3.073 -6.889 6.527 1.00 0.00 C ATOM 1035 O PRO A 94 -1.880 -7.200 6.543 1.00 0.00 O ATOM 1036 CB PRO A 94 -4.627 -7.136 8.495 1.00 0.00 C ATOM 1037 CG PRO A 94 -3.937 -8.047 9.507 1.00 0.00 C ATOM 1038 CD PRO A 94 -3.990 -9.410 8.840 1.00 0.00 C ATOM 0 HA PRO A 94 -4.943 -7.687 6.359 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -4.310 -6.099 8.603 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.711 -7.152 8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.911 -7.732 9.698 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.454 -8.048 10.466 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.157 -10.035 9.160 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.906 -9.940 9.103 1.00 0.00 H new ATOM 1046 N LEU A 95 -3.555 -5.771 5.988 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.873 -4.720 5.246 1.00 0.00 C ATOM 1048 C LEU A 95 -2.493 -3.548 6.155 1.00 0.00 C ATOM 1049 O LEU A 95 -3.286 -3.097 6.978 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.892 -4.299 4.165 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.822 -5.118 2.872 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -3.432 -6.561 2.998 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -5.083 -5.093 2.036 1.00 0.00 C ATOM 0 H LEU A 95 -4.549 -5.559 6.073 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.931 -5.059 4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.897 -4.382 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.733 -3.248 3.923 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.011 -4.580 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.421 -7.023 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.439 -6.632 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.152 -7.078 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.939 -5.700 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.913 -5.495 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.307 -4.067 1.746 1.00 0.00 H new ATOM 1065 N GLU A 96 -1.296 -3.009 5.929 1.00 0.00 N ATOM 1066 CA GLU A 96 -0.703 -1.888 6.677 1.00 0.00 C ATOM 1067 C GLU A 96 -0.524 -0.687 5.725 1.00 0.00 C ATOM 1068 O GLU A 96 0.526 -0.060 5.577 1.00 0.00 O ATOM 1069 CB GLU A 96 0.557 -2.391 7.402 1.00 0.00 C ATOM 1070 CG GLU A 96 1.043 -1.489 8.534 1.00 0.00 C ATOM 1071 CD GLU A 96 2.221 -2.191 9.229 1.00 0.00 C ATOM 1072 OE1 GLU A 96 1.998 -2.975 10.188 1.00 0.00 O ATOM 1073 OE2 GLU A 96 3.377 -2.081 8.761 1.00 0.00 O ATOM 0 H GLU A 96 -0.683 -3.352 5.190 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.349 -1.512 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.356 -3.383 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.360 -2.501 6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.354 -0.520 8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.238 -1.302 9.245 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.613 -0.405 5.009 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.778 0.738 4.107 1.00 0.00 C ATOM 1082 C VAL A 97 -1.666 1.999 4.927 1.00 0.00 C ATOM 1083 O VAL A 97 -2.555 2.243 5.743 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.183 0.706 3.500 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.540 1.950 2.696 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.299 -0.469 2.529 1.00 0.00 C ATOM 0 H VAL A 97 -2.444 -0.995 5.043 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.024 0.702 3.320 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.859 0.630 4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.550 1.850 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.489 2.827 3.341 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.837 2.065 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.300 -0.488 2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.564 -0.356 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.115 -1.402 3.063 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.586 2.769 4.782 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.343 3.784 5.825 1.00 0.00 C ATOM 1098 C VAL A 98 0.505 5.013 5.440 1.00 0.00 C ATOM 1099 O VAL A 98 0.325 5.657 4.394 1.00 0.00 O ATOM 1100 CB VAL A 98 0.082 2.975 7.106 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.555 2.626 7.404 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.723 3.491 8.291 1.00 0.00 C ATOM 0 H VAL A 98 0.090 2.725 4.020 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.255 4.347 6.023 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.174 1.947 6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.615 2.066 8.337 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.957 2.021 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.135 3.544 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.442 2.941 9.189 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.518 4.552 8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.786 3.350 8.098 1.00 0.00 H new ATOM 1112 N TYR A 99 1.408 5.386 6.330 1.00 0.00 N ATOM 1113 CA TYR A 99 2.523 6.303 6.126 1.00 0.00 C ATOM 1114 C TYR A 99 3.789 5.424 6.073 1.00 0.00 C ATOM 1115 O TYR A 99 4.731 5.616 6.838 1.00 0.00 O ATOM 1116 CB TYR A 99 2.534 7.371 7.239 1.00 0.00 C ATOM 1117 CG TYR A 99 1.269 8.216 7.388 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.332 8.352 6.334 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.062 8.929 8.583 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.784 9.198 6.465 1.00 0.00 C ATOM 1121 CE2 TYR A 99 -0.062 9.768 8.726 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.988 9.907 7.670 1.00 0.00 C ATOM 1123 OH TYR A 99 -2.058 10.737 7.815 1.00 0.00 O ATOM 0 H TYR A 99 1.382 5.031 7.286 1.00 0.00 H new ATOM 0 HA TYR A 99 2.452 6.871 5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 99 2.724 6.871 8.189 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.373 8.043 7.059 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.477 7.799 5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.768 8.833 9.395 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.482 9.305 5.648 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.215 10.307 9.649 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.040 11.141 8.708 1.00 0.00 H new ATOM 1133 N SER A 100 3.728 4.366 5.255 1.00 0.00 N ATOM 1134 CA SER A 100 4.718 3.276 5.158 1.00 0.00 C ATOM 1135 C SER A 100 6.160 3.769 5.055 1.00 0.00 C ATOM 1136 O SER A 100 6.401 4.805 4.436 1.00 0.00 O ATOM 1137 CB SER A 100 4.397 2.287 4.068 1.00 0.00 C ATOM 1138 OG SER A 100 3.097 1.846 4.347 1.00 0.00 O ATOM 0 H SER A 100 2.949 4.237 4.609 1.00 0.00 H new ATOM 0 HA SER A 100 4.639 2.746 6.107 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.453 2.753 3.084 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.103 1.457 4.068 1.00 0.00 H new ATOM 0 HG SER A 100 2.453 2.531 4.072 1.00 0.00 H new