USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 885 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 59 SER OG : rot -159:sc= -0.0254 USER MOD Set 1.2: A 94 HIS : no HE2:sc= -0.7 K(o=-0.73,f=-2.8) USER MOD Set 2.1: A 39 ASN : amide:sc= -1.81! C(o=-1.2!,f=-2.4!) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0.56 USER MOD Set 3.1: A 23 THR OG1 : rot 3:sc= -0.406! USER MOD Set 3.2: A 26 THR OG1 : rot -160:sc= -0.263 USER MOD Set 3.3: A 74 HIS : no HD1:sc= -0.399 X(o=-1.1,f=-0.86) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.173 (180deg=-0.877) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0586 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= 1.1 (180deg=0.221) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.1!) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= 0.216 (180deg=0.0824) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -136:sc= 1.18 USER MOD Single : A 34 ASN : amide:sc=-0.00788 K(o=-0.0079,f=-0.52) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 30:sc= 0.0136 USER MOD Single : A 44 MET CE :methyl 168:sc=-0.00243 (180deg=-0.201) USER MOD Single : A 47 THR OG1 : rot 19:sc= 1.1 USER MOD Single : A 52 HIS : no HE2:sc= 0.922 K(o=0.92,f=-5.8!) USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0313) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.121 USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= -0.211 (180deg=-0.824) USER MOD Single : A 71 THR OG1 : rot 31:sc= 0.138 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.09 F(o=-2.1!,f=-1.1) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0424 USER MOD Single : A 87 HIS : no HD1:sc= 0.0712 K(o=0.071,f=-2!) USER MOD Single : A 89 HIS : no HE2:sc= -10.3! C(o=-10!,f=-14!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0345 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0538 K(o=-0.054,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.196 -8.529 11.603 1.00 0.00 N ATOM 2 CA MET A 1 -9.519 -9.135 10.434 1.00 0.00 C ATOM 3 C MET A 1 -8.878 -8.042 9.594 1.00 0.00 C ATOM 4 O MET A 1 -9.377 -6.922 9.554 1.00 0.00 O ATOM 5 CB MET A 1 -10.532 -9.919 9.597 1.00 0.00 C ATOM 6 CG MET A 1 -9.904 -10.765 8.499 1.00 0.00 C ATOM 7 SD MET A 1 -11.119 -11.730 7.579 1.00 0.00 S ATOM 8 CE MET A 1 -11.830 -12.724 8.892 1.00 0.00 C ATOM 0 H1 MET A 1 -11.161 -8.908 11.680 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.665 -8.756 12.468 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.238 -7.497 11.483 1.00 0.00 H new ATOM 0 HA MET A 1 -8.744 -9.819 10.778 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.109 -10.568 10.257 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.234 -9.219 9.145 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.365 -10.115 7.809 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.170 -11.439 8.941 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.290 -13.615 8.465 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.046 -13.019 9.590 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.586 -12.143 9.420 1.00 0.00 H new ATOM 20 N TYR A 2 -7.770 -8.353 8.941 1.00 0.00 N ATOM 21 CA TYR A 2 -7.088 -7.373 8.110 1.00 0.00 C ATOM 22 C TYR A 2 -7.509 -7.510 6.648 1.00 0.00 C ATOM 23 O TYR A 2 -8.260 -8.420 6.291 1.00 0.00 O ATOM 24 CB TYR A 2 -5.570 -7.496 8.271 1.00 0.00 C ATOM 25 CG TYR A 2 -5.073 -6.972 9.606 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.300 -7.673 10.785 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.390 -5.764 9.686 1.00 0.00 C ATOM 28 CE1 TYR A 2 -4.862 -7.185 12.003 1.00 0.00 C ATOM 29 CE2 TYR A 2 -3.944 -5.273 10.900 1.00 0.00 C ATOM 30 CZ TYR A 2 -4.186 -5.985 12.056 1.00 0.00 C ATOM 31 OH TYR A 2 -3.754 -5.492 13.268 1.00 0.00 O ATOM 0 H TYR A 2 -7.325 -9.271 8.969 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.379 -6.376 8.442 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.282 -8.542 8.167 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.079 -6.949 7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.827 -8.615 10.749 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.204 -5.199 8.785 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -5.049 -7.742 12.909 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.409 -4.336 10.942 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.294 -4.638 13.129 1.00 0.00 H new ATOM 41 N LEU A 3 -7.030 -6.597 5.816 1.00 0.00 N ATOM 42 CA LEU A 3 -7.468 -6.517 4.430 1.00 0.00 C ATOM 43 C LEU A 3 -6.668 -7.450 3.527 1.00 0.00 C ATOM 44 O LEU A 3 -5.541 -7.833 3.838 1.00 0.00 O ATOM 45 CB LEU A 3 -7.361 -5.076 3.924 1.00 0.00 C ATOM 46 CG LEU A 3 -8.170 -4.048 4.716 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.057 -2.680 4.068 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.630 -4.472 4.823 1.00 0.00 C ATOM 0 H LEU A 3 -6.335 -5.898 6.078 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.510 -6.836 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.312 -4.779 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.686 -5.048 2.884 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.761 -3.991 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.637 -1.957 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.012 -2.372 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.441 -2.727 3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.185 -3.725 5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.057 -4.560 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.693 -5.434 5.331 1.00 0.00 H new ATOM 60 N ARG A 4 -7.273 -7.805 2.403 1.00 0.00 N ATOM 61 CA ARG A 4 -6.664 -8.715 1.438 1.00 0.00 C ATOM 62 C ARG A 4 -5.862 -7.931 0.398 1.00 0.00 C ATOM 63 O ARG A 4 -6.089 -6.737 0.217 1.00 0.00 O ATOM 64 CB ARG A 4 -7.760 -9.530 0.750 1.00 0.00 C ATOM 65 CG ARG A 4 -8.719 -10.179 1.727 1.00 0.00 C ATOM 66 CD ARG A 4 -9.906 -10.804 1.018 1.00 0.00 C ATOM 67 NE ARG A 4 -10.947 -11.205 1.961 1.00 0.00 N ATOM 68 CZ ARG A 4 -11.943 -12.037 1.665 1.00 0.00 C ATOM 69 NH1 ARG A 4 -12.059 -12.530 0.439 1.00 0.00 N ATOM 70 NH2 ARG A 4 -12.839 -12.356 2.591 1.00 0.00 N ATOM 0 H ARG A 4 -8.198 -7.472 2.132 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.984 -9.388 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.320 -8.880 0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.298 -10.303 0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.193 -10.943 2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.072 -9.434 2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.318 -10.093 0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.575 -11.673 0.450 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.908 -10.823 2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.384 -12.272 -0.281 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.823 -13.167 0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -12.764 -11.964 3.530 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -13.602 -12.994 2.364 1.00 0.00 H new ATOM 84 N PRO A 5 -4.924 -8.594 -0.306 1.00 0.00 N ATOM 85 CA PRO A 5 -4.093 -7.952 -1.336 1.00 0.00 C ATOM 86 C PRO A 5 -4.924 -7.230 -2.401 1.00 0.00 C ATOM 87 O PRO A 5 -4.774 -6.023 -2.610 1.00 0.00 O ATOM 88 CB PRO A 5 -3.309 -9.116 -1.964 1.00 0.00 C ATOM 89 CG PRO A 5 -3.959 -10.362 -1.463 1.00 0.00 C ATOM 90 CD PRO A 5 -4.582 -10.012 -0.142 1.00 0.00 C ATOM 0 HA PRO A 5 -3.455 -7.181 -0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.343 -9.068 -3.052 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.258 -9.080 -1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.712 -10.717 -2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.228 -11.162 -1.348 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.464 -10.619 0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.889 -10.167 0.685 1.00 0.00 H new ATOM 98 N ASP A 6 -5.809 -7.973 -3.063 1.00 0.00 N ATOM 99 CA ASP A 6 -6.692 -7.407 -4.089 1.00 0.00 C ATOM 100 C ASP A 6 -7.582 -6.320 -3.494 1.00 0.00 C ATOM 101 O ASP A 6 -7.917 -5.338 -4.153 1.00 0.00 O ATOM 102 CB ASP A 6 -7.562 -8.511 -4.702 1.00 0.00 C ATOM 103 CG ASP A 6 -8.523 -7.989 -5.754 1.00 0.00 C ATOM 104 OD1 ASP A 6 -8.136 -7.933 -6.941 1.00 0.00 O ATOM 105 OD2 ASP A 6 -9.674 -7.652 -5.403 1.00 0.00 O ATOM 0 H ASP A 6 -5.936 -8.973 -2.908 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.072 -6.963 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.918 -9.268 -5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.129 -9.002 -3.911 1.00 0.00 H new ATOM 110 N GLU A 7 -7.938 -6.508 -2.235 1.00 0.00 N ATOM 111 CA GLU A 7 -8.805 -5.588 -1.518 1.00 0.00 C ATOM 112 C GLU A 7 -8.117 -4.236 -1.326 1.00 0.00 C ATOM 113 O GLU A 7 -8.714 -3.181 -1.564 1.00 0.00 O ATOM 114 CB GLU A 7 -9.181 -6.223 -0.181 1.00 0.00 C ATOM 115 CG GLU A 7 -10.109 -5.398 0.686 1.00 0.00 C ATOM 116 CD GLU A 7 -10.681 -6.225 1.813 1.00 0.00 C ATOM 117 OE1 GLU A 7 -9.917 -6.978 2.449 1.00 0.00 O ATOM 118 OE2 GLU A 7 -11.904 -6.148 2.050 1.00 0.00 O ATOM 0 H GLU A 7 -7.633 -7.306 -1.679 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.712 -5.401 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.652 -7.187 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.267 -6.421 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.567 -4.546 1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.920 -4.997 0.077 1.00 0.00 H new ATOM 125 N VAL A 8 -6.855 -4.277 -0.916 1.00 0.00 N ATOM 126 CA VAL A 8 -6.050 -3.067 -0.772 1.00 0.00 C ATOM 127 C VAL A 8 -5.870 -2.382 -2.125 1.00 0.00 C ATOM 128 O VAL A 8 -6.050 -1.170 -2.247 1.00 0.00 O ATOM 129 CB VAL A 8 -4.661 -3.378 -0.163 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.799 -2.124 -0.099 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.814 -3.995 1.221 1.00 0.00 C ATOM 0 H VAL A 8 -6.364 -5.138 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.582 -2.400 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.160 -4.097 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.829 -2.371 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.658 -1.727 -1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.292 -1.375 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.829 -4.208 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.340 -3.298 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.384 -4.921 1.145 1.00 0.00 H new ATOM 141 N ALA A 9 -5.532 -3.172 -3.140 1.00 0.00 N ATOM 142 CA ALA A 9 -5.347 -2.657 -4.493 1.00 0.00 C ATOM 143 C ALA A 9 -6.625 -2.010 -5.016 1.00 0.00 C ATOM 144 O ALA A 9 -6.582 -1.002 -5.724 1.00 0.00 O ATOM 145 CB ALA A 9 -4.901 -3.775 -5.421 1.00 0.00 C ATOM 0 H ALA A 9 -5.380 -4.177 -3.050 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.572 -1.891 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.766 -3.380 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.958 -4.190 -5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.659 -4.558 -5.437 1.00 0.00 H new ATOM 151 N ARG A 10 -7.759 -2.595 -4.651 1.00 0.00 N ATOM 152 CA ARG A 10 -9.066 -2.078 -5.040 1.00 0.00 C ATOM 153 C ARG A 10 -9.227 -0.638 -4.556 1.00 0.00 C ATOM 154 O ARG A 10 -9.634 0.250 -5.314 1.00 0.00 O ATOM 155 CB ARG A 10 -10.166 -2.952 -4.430 1.00 0.00 C ATOM 156 CG ARG A 10 -11.511 -2.870 -5.140 1.00 0.00 C ATOM 157 CD ARG A 10 -11.560 -3.787 -6.356 1.00 0.00 C ATOM 158 NE ARG A 10 -10.708 -3.326 -7.449 1.00 0.00 N ATOM 159 CZ ARG A 10 -9.901 -4.119 -8.156 1.00 0.00 C ATOM 160 NH1 ARG A 10 -9.756 -5.400 -7.822 1.00 0.00 N ATOM 161 NH2 ARG A 10 -9.225 -3.627 -9.189 1.00 0.00 N ATOM 0 H ARG A 10 -7.799 -3.438 -4.079 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.146 -2.097 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -9.831 -3.989 -4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.303 -2.665 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.307 -3.142 -4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.697 -1.842 -5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.253 -4.790 -6.061 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.589 -3.859 -6.709 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.731 -2.334 -7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.263 -5.779 -7.022 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.138 -6.002 -8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.323 -2.644 -9.441 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.608 -4.233 -9.730 1.00 0.00 H new ATOM 175 N VAL A 11 -8.892 -0.414 -3.289 1.00 0.00 N ATOM 176 CA VAL A 11 -8.976 0.914 -2.693 1.00 0.00 C ATOM 177 C VAL A 11 -7.961 1.860 -3.337 1.00 0.00 C ATOM 178 O VAL A 11 -8.254 3.030 -3.566 1.00 0.00 O ATOM 179 CB VAL A 11 -8.744 0.868 -1.166 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.909 2.250 -0.546 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.691 -0.128 -0.512 1.00 0.00 C ATOM 0 H VAL A 11 -8.559 -1.139 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.984 1.287 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.720 0.540 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.740 2.189 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.186 2.936 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.918 2.615 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.513 -0.147 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.722 0.170 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.517 -1.121 -0.926 1.00 0.00 H new ATOM 191 N LEU A 12 -6.776 1.339 -3.646 1.00 0.00 N ATOM 192 CA LEU A 12 -5.735 2.130 -4.305 1.00 0.00 C ATOM 193 C LEU A 12 -6.214 2.657 -5.654 1.00 0.00 C ATOM 194 O LEU A 12 -6.033 3.837 -5.968 1.00 0.00 O ATOM 195 CB LEU A 12 -4.467 1.298 -4.490 1.00 0.00 C ATOM 196 CG LEU A 12 -3.735 0.932 -3.198 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.565 0.011 -3.491 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.254 2.190 -2.482 1.00 0.00 C ATOM 0 H LEU A 12 -6.511 0.373 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.510 2.983 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.728 0.379 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.781 1.848 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.433 0.407 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.056 -0.239 -2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.930 -0.902 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.867 0.511 -4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.735 1.911 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.573 2.740 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.110 2.819 -2.238 1.00 0.00 H new ATOM 210 N GLU A 13 -6.827 1.780 -6.444 1.00 0.00 N ATOM 211 CA GLU A 13 -7.402 2.162 -7.727 1.00 0.00 C ATOM 212 C GLU A 13 -8.393 3.307 -7.555 1.00 0.00 C ATOM 213 O GLU A 13 -8.432 4.244 -8.357 1.00 0.00 O ATOM 214 CB GLU A 13 -8.116 0.965 -8.348 1.00 0.00 C ATOM 215 CG GLU A 13 -7.188 -0.118 -8.872 1.00 0.00 C ATOM 216 CD GLU A 13 -6.498 0.269 -10.166 1.00 0.00 C ATOM 217 OE1 GLU A 13 -6.926 1.254 -10.802 1.00 0.00 O ATOM 218 OE2 GLU A 13 -5.548 -0.434 -10.568 1.00 0.00 O ATOM 0 H GLU A 13 -6.938 0.792 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.595 2.492 -8.381 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.781 0.528 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.743 1.317 -9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.434 -0.340 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.759 -1.033 -9.030 1.00 0.00 H new ATOM 225 N LYS A 14 -9.189 3.218 -6.498 1.00 0.00 N ATOM 226 CA LYS A 14 -10.202 4.221 -6.200 1.00 0.00 C ATOM 227 C LYS A 14 -9.553 5.518 -5.721 1.00 0.00 C ATOM 228 O LYS A 14 -9.954 6.611 -6.118 1.00 0.00 O ATOM 229 CB LYS A 14 -11.151 3.674 -5.132 1.00 0.00 C ATOM 230 CG LYS A 14 -12.515 4.349 -5.100 1.00 0.00 C ATOM 231 CD LYS A 14 -12.510 5.595 -4.229 1.00 0.00 C ATOM 232 CE LYS A 14 -12.542 5.245 -2.752 1.00 0.00 C ATOM 233 NZ LYS A 14 -12.546 6.457 -1.894 1.00 0.00 N ATOM 0 H LYS A 14 -9.151 2.452 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.764 4.443 -7.107 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.291 2.606 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.681 3.784 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.812 4.616 -6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.259 3.647 -4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.620 6.186 -4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.372 6.215 -4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.429 4.648 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.677 4.629 -2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.041 6.250 -1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.567 6.740 -1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.034 7.231 -2.389 1.00 0.00 H new ATOM 247 N ALA A 15 -8.554 5.376 -4.863 1.00 0.00 N ATOM 248 CA ALA A 15 -7.842 6.519 -4.290 1.00 0.00 C ATOM 249 C ALA A 15 -7.192 7.393 -5.364 1.00 0.00 C ATOM 250 O ALA A 15 -7.122 8.616 -5.220 1.00 0.00 O ATOM 251 CB ALA A 15 -6.792 6.038 -3.300 1.00 0.00 C ATOM 0 H ALA A 15 -8.211 4.470 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.578 7.134 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.268 6.896 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.276 5.480 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.078 5.392 -3.812 1.00 0.00 H new ATOM 257 N GLY A 16 -6.720 6.770 -6.435 1.00 0.00 N ATOM 258 CA GLY A 16 -6.086 7.523 -7.503 1.00 0.00 C ATOM 259 C GLY A 16 -4.796 6.894 -7.986 1.00 0.00 C ATOM 260 O GLY A 16 -3.999 7.539 -8.666 1.00 0.00 O ATOM 0 H GLY A 16 -6.763 5.762 -6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.778 7.608 -8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.882 8.535 -7.155 1.00 0.00 H new ATOM 264 N PHE A 17 -4.589 5.635 -7.646 1.00 0.00 N ATOM 265 CA PHE A 17 -3.356 4.947 -7.990 1.00 0.00 C ATOM 266 C PHE A 17 -3.539 4.050 -9.209 1.00 0.00 C ATOM 267 O PHE A 17 -4.657 3.648 -9.530 1.00 0.00 O ATOM 268 CB PHE A 17 -2.883 4.102 -6.815 1.00 0.00 C ATOM 269 CG PHE A 17 -2.313 4.891 -5.666 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.127 5.693 -4.880 1.00 0.00 C ATOM 271 CD2 PHE A 17 -0.960 4.821 -5.369 1.00 0.00 C ATOM 272 CE1 PHE A 17 -2.605 6.412 -3.825 1.00 0.00 C ATOM 273 CE2 PHE A 17 -0.433 5.541 -4.312 1.00 0.00 C ATOM 274 CZ PHE A 17 -1.258 6.337 -3.541 1.00 0.00 C ATOM 0 H PHE A 17 -5.260 5.066 -7.130 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.611 5.706 -8.227 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.721 3.508 -6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.126 3.402 -7.169 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.183 5.755 -5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.312 4.199 -5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.251 7.033 -3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.622 5.481 -4.090 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.848 6.900 -2.716 1.00 0.00 H new ATOM 284 N THR A 18 -2.434 3.742 -9.876 1.00 0.00 N ATOM 285 CA THR A 18 -2.447 2.860 -11.035 1.00 0.00 C ATOM 286 C THR A 18 -1.319 1.834 -10.937 1.00 0.00 C ATOM 287 O THR A 18 -0.233 2.143 -10.447 1.00 0.00 O ATOM 288 CB THR A 18 -2.298 3.656 -12.347 1.00 0.00 C ATOM 289 OG1 THR A 18 -1.294 4.670 -12.198 1.00 0.00 O ATOM 290 CG2 THR A 18 -3.618 4.294 -12.751 1.00 0.00 C ATOM 0 H THR A 18 -1.509 4.094 -9.630 1.00 0.00 H new ATOM 0 HA THR A 18 -3.409 2.347 -11.045 1.00 0.00 H new ATOM 0 HB THR A 18 -1.997 2.962 -13.131 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.206 5.169 -13.037 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.485 4.849 -13.679 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.368 3.517 -12.898 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.949 4.974 -11.966 1.00 0.00 H new ATOM 298 N VAL A 19 -1.578 0.615 -11.395 1.00 0.00 N ATOM 299 CA VAL A 19 -0.575 -0.443 -11.342 1.00 0.00 C ATOM 300 C VAL A 19 0.427 -0.278 -12.488 1.00 0.00 C ATOM 301 O VAL A 19 0.050 0.079 -13.609 1.00 0.00 O ATOM 302 CB VAL A 19 -1.229 -1.853 -11.399 1.00 0.00 C ATOM 303 CG1 VAL A 19 -1.826 -2.134 -12.766 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.231 -2.940 -11.025 1.00 0.00 C ATOM 0 H VAL A 19 -2.469 0.335 -11.805 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.050 -0.358 -10.391 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.037 -1.862 -10.667 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.274 -3.128 -12.770 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.591 -1.390 -12.989 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.042 -2.087 -13.522 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.718 -3.914 -11.074 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.608 -2.918 -11.720 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.133 -2.767 -10.012 1.00 0.00 H new ATOM 314 N ASP A 20 1.704 -0.479 -12.196 1.00 0.00 N ATOM 315 CA ASP A 20 2.733 -0.438 -13.231 1.00 0.00 C ATOM 316 C ASP A 20 3.340 -1.808 -13.447 1.00 0.00 C ATOM 317 O ASP A 20 3.704 -2.162 -14.567 1.00 0.00 O ATOM 318 CB ASP A 20 3.843 0.565 -12.898 1.00 0.00 C ATOM 319 CG ASP A 20 4.593 0.254 -11.620 1.00 0.00 C ATOM 320 OD1 ASP A 20 4.027 0.470 -10.533 1.00 0.00 O ATOM 321 OD2 ASP A 20 5.756 -0.190 -11.709 1.00 0.00 O ATOM 0 H ASP A 20 2.053 -0.671 -11.257 1.00 0.00 H new ATOM 0 HA ASP A 20 2.241 -0.112 -14.148 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.552 0.594 -13.725 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.406 1.561 -12.818 1.00 0.00 H new ATOM 326 N VAL A 21 3.441 -2.587 -12.386 1.00 0.00 N ATOM 327 CA VAL A 21 4.062 -3.889 -12.491 1.00 0.00 C ATOM 328 C VAL A 21 3.318 -4.948 -11.667 1.00 0.00 C ATOM 329 O VAL A 21 3.463 -5.048 -10.450 1.00 0.00 O ATOM 330 CB VAL A 21 5.563 -3.814 -12.102 1.00 0.00 C ATOM 331 CG1 VAL A 21 5.771 -3.369 -10.655 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.248 -5.135 -12.373 1.00 0.00 C ATOM 0 H VAL A 21 3.105 -2.343 -11.454 1.00 0.00 H new ATOM 0 HA VAL A 21 3.998 -4.202 -13.533 1.00 0.00 H new ATOM 0 HB VAL A 21 6.021 -3.049 -12.729 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.838 -3.333 -10.435 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.338 -2.379 -10.513 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.286 -4.077 -9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.299 -5.064 -12.094 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.770 -5.920 -11.787 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.169 -5.375 -13.433 1.00 0.00 H new ATOM 342 N VAL A 22 2.489 -5.727 -12.340 1.00 0.00 N ATOM 343 CA VAL A 22 1.763 -6.799 -11.681 1.00 0.00 C ATOM 344 C VAL A 22 2.559 -8.107 -11.738 1.00 0.00 C ATOM 345 O VAL A 22 2.604 -8.795 -12.757 1.00 0.00 O ATOM 346 CB VAL A 22 0.340 -6.983 -12.272 1.00 0.00 C ATOM 347 CG1 VAL A 22 0.377 -7.170 -13.784 1.00 0.00 C ATOM 348 CG2 VAL A 22 -0.377 -8.146 -11.602 1.00 0.00 C ATOM 0 H VAL A 22 2.302 -5.638 -13.339 1.00 0.00 H new ATOM 0 HA VAL A 22 1.640 -6.518 -10.635 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.219 -6.070 -12.069 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.638 -7.296 -14.160 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.830 -6.294 -14.248 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.966 -8.055 -14.027 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.372 -8.256 -12.032 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.190 -9.063 -11.760 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.463 -7.953 -10.533 1.00 0.00 H new ATOM 358 N THR A 23 3.215 -8.427 -10.635 1.00 0.00 N ATOM 359 CA THR A 23 4.009 -9.640 -10.544 1.00 0.00 C ATOM 360 C THR A 23 3.259 -10.700 -9.745 1.00 0.00 C ATOM 361 O THR A 23 2.266 -10.394 -9.074 1.00 0.00 O ATOM 362 CB THR A 23 5.390 -9.370 -9.907 1.00 0.00 C ATOM 363 OG1 THR A 23 5.239 -8.704 -8.651 1.00 0.00 O ATOM 364 CG2 THR A 23 6.257 -8.528 -10.831 1.00 0.00 C ATOM 0 H THR A 23 3.213 -7.860 -9.787 1.00 0.00 H new ATOM 0 HA THR A 23 4.177 -10.005 -11.557 1.00 0.00 H new ATOM 0 HB THR A 23 5.879 -10.331 -9.746 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.286 -8.609 -8.444 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.224 -8.351 -10.361 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.403 -9.055 -11.774 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.766 -7.574 -11.021 1.00 0.00 H new ATOM 372 N ASN A 24 3.742 -11.934 -9.790 1.00 0.00 N ATOM 373 CA ASN A 24 3.025 -13.062 -9.197 1.00 0.00 C ATOM 374 C ASN A 24 3.033 -13.006 -7.670 1.00 0.00 C ATOM 375 O ASN A 24 2.269 -13.711 -7.019 1.00 0.00 O ATOM 376 CB ASN A 24 3.611 -14.400 -9.666 1.00 0.00 C ATOM 377 CG ASN A 24 4.943 -14.740 -9.017 1.00 0.00 C ATOM 378 OD1 ASN A 24 5.782 -13.871 -8.773 1.00 0.00 O ATOM 379 ND2 ASN A 24 5.128 -16.012 -8.709 1.00 0.00 N ATOM 0 H ASN A 24 4.628 -12.183 -10.231 1.00 0.00 H new ATOM 0 HA ASN A 24 1.992 -12.987 -9.536 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.898 -15.195 -9.451 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.740 -14.372 -10.748 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.991 -16.306 -8.252 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.408 -16.700 -8.929 1.00 0.00 H new ATOM 386 N LYS A 25 3.881 -12.160 -7.100 1.00 0.00 N ATOM 387 CA LYS A 25 3.993 -12.074 -5.651 1.00 0.00 C ATOM 388 C LYS A 25 3.766 -10.647 -5.179 1.00 0.00 C ATOM 389 O LYS A 25 3.795 -10.368 -3.979 1.00 0.00 O ATOM 390 CB LYS A 25 5.379 -12.537 -5.185 1.00 0.00 C ATOM 391 CG LYS A 25 5.676 -14.004 -5.455 1.00 0.00 C ATOM 392 CD LYS A 25 7.085 -14.383 -5.011 1.00 0.00 C ATOM 393 CE LYS A 25 8.142 -13.587 -5.763 1.00 0.00 C ATOM 394 NZ LYS A 25 9.524 -13.922 -5.323 1.00 0.00 N ATOM 0 H LYS A 25 4.496 -11.529 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 25 3.231 -12.724 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.137 -11.929 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.470 -12.352 -4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.949 -14.625 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.562 -14.209 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.189 -14.207 -3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.245 -15.448 -5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.047 -13.780 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.965 -12.522 -5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.164 -13.138 -5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.533 -14.075 -4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.842 -14.787 -5.805 1.00 0.00 H new ATOM 408 N THR A 26 3.524 -9.737 -6.115 1.00 0.00 N ATOM 409 CA THR A 26 3.540 -8.321 -5.792 1.00 0.00 C ATOM 410 C THR A 26 2.801 -7.470 -6.834 1.00 0.00 C ATOM 411 O THR A 26 2.919 -7.704 -8.034 1.00 0.00 O ATOM 412 CB THR A 26 5.006 -7.844 -5.682 1.00 0.00 C ATOM 413 OG1 THR A 26 5.663 -8.481 -4.578 1.00 0.00 O ATOM 414 CG2 THR A 26 5.095 -6.343 -5.530 1.00 0.00 C ATOM 0 H THR A 26 3.317 -9.953 -7.090 1.00 0.00 H new ATOM 0 HA THR A 26 3.019 -8.193 -4.843 1.00 0.00 H new ATOM 0 HB THR A 26 5.507 -8.123 -6.609 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.453 -7.960 -4.323 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.141 -6.046 -5.456 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.642 -5.862 -6.397 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.566 -6.037 -4.627 1.00 0.00 H new ATOM 422 N TYR A 27 2.035 -6.492 -6.368 1.00 0.00 N ATOM 423 CA TYR A 27 1.432 -5.503 -7.255 1.00 0.00 C ATOM 424 C TYR A 27 2.176 -4.179 -7.137 1.00 0.00 C ATOM 425 O TYR A 27 2.130 -3.536 -6.090 1.00 0.00 O ATOM 426 CB TYR A 27 -0.037 -5.251 -6.910 1.00 0.00 C ATOM 427 CG TYR A 27 -0.944 -6.456 -6.991 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.562 -6.804 -8.184 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.211 -7.222 -5.865 1.00 0.00 C ATOM 430 CE1 TYR A 27 -2.422 -7.882 -8.254 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.064 -8.306 -5.929 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.669 -8.630 -7.125 1.00 0.00 C ATOM 433 OH TYR A 27 -3.528 -9.703 -7.186 1.00 0.00 O ATOM 0 H TYR A 27 1.816 -6.362 -5.380 1.00 0.00 H new ATOM 0 HA TYR A 27 1.497 -5.899 -8.268 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.090 -4.847 -5.899 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.422 -4.483 -7.581 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.367 -6.222 -9.073 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.745 -6.967 -4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.898 -8.137 -9.189 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.256 -8.898 -5.046 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.590 -10.123 -6.303 1.00 0.00 H new ATOM 443 N GLY A 28 2.870 -3.787 -8.193 1.00 0.00 N ATOM 444 CA GLY A 28 3.485 -2.478 -8.223 1.00 0.00 C ATOM 445 C GLY A 28 2.455 -1.413 -8.504 1.00 0.00 C ATOM 446 O GLY A 28 1.894 -1.359 -9.596 1.00 0.00 O ATOM 0 H GLY A 28 3.018 -4.351 -9.030 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.972 -2.277 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.261 -2.452 -8.988 1.00 0.00 H new ATOM 450 N TYR A 29 2.186 -0.589 -7.515 1.00 0.00 N ATOM 451 CA TYR A 29 1.091 0.358 -7.575 1.00 0.00 C ATOM 452 C TYR A 29 1.593 1.781 -7.360 1.00 0.00 C ATOM 453 O TYR A 29 2.102 2.114 -6.297 1.00 0.00 O ATOM 454 CB TYR A 29 0.063 -0.038 -6.516 1.00 0.00 C ATOM 455 CG TYR A 29 -1.209 -0.602 -7.097 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.319 -1.957 -7.373 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.292 0.217 -7.388 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.471 -2.484 -7.914 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.450 -0.304 -7.933 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.532 -1.655 -8.195 1.00 0.00 C ATOM 461 OH TYR A 29 -4.676 -2.183 -8.744 1.00 0.00 O ATOM 0 H TYR A 29 2.719 -0.556 -6.646 1.00 0.00 H new ATOM 0 HA TYR A 29 0.627 0.334 -8.561 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.507 -0.776 -5.848 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.179 0.836 -5.911 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.486 -2.611 -7.160 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.228 1.276 -7.186 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.541 -3.543 -8.116 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.286 0.343 -8.152 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.993 -1.599 -9.464 1.00 0.00 H new ATOM 471 N ARG A 30 1.433 2.628 -8.364 1.00 0.00 N ATOM 472 CA ARG A 30 2.073 3.931 -8.344 1.00 0.00 C ATOM 473 C ARG A 30 1.083 5.084 -8.480 1.00 0.00 C ATOM 474 O ARG A 30 -0.030 4.924 -8.985 1.00 0.00 O ATOM 475 CB ARG A 30 3.097 4.014 -9.473 1.00 0.00 C ATOM 476 CG ARG A 30 2.476 4.156 -10.854 1.00 0.00 C ATOM 477 CD ARG A 30 3.530 4.083 -11.945 1.00 0.00 C ATOM 478 NE ARG A 30 3.012 4.471 -13.260 1.00 0.00 N ATOM 479 CZ ARG A 30 2.118 3.774 -13.964 1.00 0.00 C ATOM 480 NH1 ARG A 30 1.557 2.683 -13.456 1.00 0.00 N ATOM 481 NH2 ARG A 30 1.787 4.184 -15.182 1.00 0.00 N ATOM 0 H ARG A 30 0.871 2.439 -9.194 1.00 0.00 H new ATOM 0 HA ARG A 30 2.556 4.032 -7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.756 4.863 -9.292 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.718 3.119 -9.454 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.738 3.368 -11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.946 5.106 -10.921 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.365 4.733 -11.682 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.921 3.067 -11.999 1.00 0.00 H new ATOM 0 HE ARG A 30 3.361 5.339 -13.667 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.808 2.370 -12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.875 2.158 -14.003 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.215 5.024 -15.571 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.105 3.659 -15.729 1.00 0.00 H new ATOM 495 N ARG A 31 1.515 6.239 -7.996 1.00 0.00 N ATOM 496 CA ARG A 31 0.848 7.506 -8.246 1.00 0.00 C ATOM 497 C ARG A 31 1.848 8.628 -8.004 1.00 0.00 C ATOM 498 O ARG A 31 2.251 8.868 -6.864 1.00 0.00 O ATOM 499 CB ARG A 31 -0.365 7.701 -7.335 1.00 0.00 C ATOM 500 CG ARG A 31 -1.280 8.826 -7.792 1.00 0.00 C ATOM 501 CD ARG A 31 -1.953 9.513 -6.616 1.00 0.00 C ATOM 502 NE ARG A 31 -0.980 10.263 -5.814 1.00 0.00 N ATOM 503 CZ ARG A 31 -1.221 10.788 -4.613 1.00 0.00 C ATOM 504 NH1 ARG A 31 -2.387 10.594 -4.006 1.00 0.00 N ATOM 505 NH2 ARG A 31 -0.280 11.505 -4.018 1.00 0.00 N ATOM 0 H ARG A 31 2.347 6.323 -7.413 1.00 0.00 H new ATOM 0 HA ARG A 31 0.490 7.514 -9.275 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.934 6.772 -7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.021 7.909 -6.322 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.704 9.557 -8.360 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.040 8.427 -8.464 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.727 10.189 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.448 8.769 -5.991 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.047 10.393 -6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.111 10.037 -4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.558 11.002 -3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.618 11.651 -4.479 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.453 11.912 -3.099 1.00 0.00 H new ATOM 519 N GLY A 32 2.273 9.284 -9.070 1.00 0.00 N ATOM 520 CA GLY A 32 3.293 10.308 -8.948 1.00 0.00 C ATOM 521 C GLY A 32 4.650 9.699 -8.660 1.00 0.00 C ATOM 522 O GLY A 32 5.149 8.892 -9.445 1.00 0.00 O ATOM 0 H GLY A 32 1.932 9.128 -10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.340 10.889 -9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.025 10.999 -8.149 1.00 0.00 H new ATOM 526 N GLU A 33 5.243 10.064 -7.533 1.00 0.00 N ATOM 527 CA GLU A 33 6.507 9.468 -7.116 1.00 0.00 C ATOM 528 C GLU A 33 6.242 8.356 -6.107 1.00 0.00 C ATOM 529 O GLU A 33 7.160 7.685 -5.633 1.00 0.00 O ATOM 530 CB GLU A 33 7.436 10.516 -6.492 1.00 0.00 C ATOM 531 CG GLU A 33 8.856 10.006 -6.280 1.00 0.00 C ATOM 532 CD GLU A 33 9.602 10.745 -5.192 1.00 0.00 C ATOM 533 OE1 GLU A 33 10.049 11.883 -5.436 1.00 0.00 O ATOM 534 OE2 GLU A 33 9.764 10.180 -4.087 1.00 0.00 O ATOM 0 H GLU A 33 4.873 10.766 -6.893 1.00 0.00 H new ATOM 0 HA GLU A 33 6.997 9.059 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.465 11.396 -7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.024 10.834 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.820 8.946 -6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.410 10.095 -7.215 1.00 0.00 H new ATOM 541 N ASN A 34 4.981 8.149 -5.788 1.00 0.00 N ATOM 542 CA ASN A 34 4.619 7.156 -4.795 1.00 0.00 C ATOM 543 C ASN A 34 4.380 5.812 -5.453 1.00 0.00 C ATOM 544 O ASN A 34 3.347 5.584 -6.080 1.00 0.00 O ATOM 545 CB ASN A 34 3.378 7.590 -4.017 1.00 0.00 C ATOM 546 CG ASN A 34 3.615 8.840 -3.192 1.00 0.00 C ATOM 547 OD1 ASN A 34 4.100 8.771 -2.064 1.00 0.00 O ATOM 548 ND2 ASN A 34 3.266 9.992 -3.740 1.00 0.00 N ATOM 0 H ASN A 34 4.193 8.651 -6.198 1.00 0.00 H new ATOM 0 HA ASN A 34 5.448 7.062 -4.094 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.560 7.769 -4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.064 6.779 -3.360 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.396 10.862 -3.224 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.867 10.010 -4.678 1.00 0.00 H new ATOM 555 N TYR A 35 5.361 4.938 -5.331 1.00 0.00 N ATOM 556 CA TYR A 35 5.277 3.595 -5.880 1.00 0.00 C ATOM 557 C TYR A 35 5.195 2.593 -4.742 1.00 0.00 C ATOM 558 O TYR A 35 6.211 2.260 -4.128 1.00 0.00 O ATOM 559 CB TYR A 35 6.498 3.274 -6.753 1.00 0.00 C ATOM 560 CG TYR A 35 6.625 4.102 -8.018 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.955 5.450 -7.969 1.00 0.00 C ATOM 562 CD2 TYR A 35 6.436 3.519 -9.264 1.00 0.00 C ATOM 563 CE1 TYR A 35 7.090 6.195 -9.126 1.00 0.00 C ATOM 564 CE2 TYR A 35 6.569 4.256 -10.425 1.00 0.00 C ATOM 565 CZ TYR A 35 6.894 5.594 -10.351 1.00 0.00 C ATOM 566 OH TYR A 35 7.027 6.331 -11.508 1.00 0.00 O ATOM 0 H TYR A 35 6.238 5.137 -4.850 1.00 0.00 H new ATOM 0 HA TYR A 35 4.385 3.534 -6.503 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.399 3.413 -6.155 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.459 2.221 -7.030 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.109 5.924 -7.011 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.181 2.471 -9.327 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.348 7.242 -9.070 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.419 3.786 -11.386 1.00 0.00 H new ATOM 0 HH TYR A 35 6.857 5.756 -12.283 1.00 0.00 H new ATOM 576 N VAL A 36 3.992 2.139 -4.451 1.00 0.00 N ATOM 577 CA VAL A 36 3.776 1.196 -3.374 1.00 0.00 C ATOM 578 C VAL A 36 3.680 -0.213 -3.936 1.00 0.00 C ATOM 579 O VAL A 36 3.211 -0.417 -5.053 1.00 0.00 O ATOM 580 CB VAL A 36 2.499 1.528 -2.559 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.535 2.966 -2.073 1.00 0.00 C ATOM 582 CG2 VAL A 36 1.234 1.279 -3.368 1.00 0.00 C ATOM 0 H VAL A 36 3.145 2.411 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 36 4.626 1.267 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 36 2.480 0.862 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.631 3.180 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.408 3.113 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.592 3.638 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.361 1.523 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.244 1.905 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.190 0.230 -3.661 1.00 0.00 H new ATOM 592 N TYR A 37 4.144 -1.178 -3.176 1.00 0.00 N ATOM 593 CA TYR A 37 4.090 -2.562 -3.601 1.00 0.00 C ATOM 594 C TYR A 37 3.123 -3.336 -2.720 1.00 0.00 C ATOM 595 O TYR A 37 3.325 -3.459 -1.514 1.00 0.00 O ATOM 596 CB TYR A 37 5.481 -3.195 -3.557 1.00 0.00 C ATOM 597 CG TYR A 37 6.398 -2.710 -4.659 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.224 -3.144 -5.966 1.00 0.00 C ATOM 599 CD2 TYR A 37 7.428 -1.818 -4.398 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.053 -2.710 -6.981 1.00 0.00 C ATOM 601 CE2 TYR A 37 8.263 -1.377 -5.407 1.00 0.00 C ATOM 602 CZ TYR A 37 8.069 -1.826 -6.698 1.00 0.00 C ATOM 603 OH TYR A 37 8.901 -1.395 -7.708 1.00 0.00 O ATOM 0 H TYR A 37 4.564 -1.032 -2.258 1.00 0.00 H new ATOM 0 HA TYR A 37 3.735 -2.599 -4.631 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.940 -2.980 -2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.381 -4.278 -3.628 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.425 -3.834 -6.193 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.580 -1.462 -3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.905 -3.062 -7.991 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.063 -0.685 -5.187 1.00 0.00 H new ATOM 0 HH TYR A 37 8.410 -1.389 -8.556 1.00 0.00 H new ATOM 613 N VAL A 38 2.058 -3.829 -3.321 1.00 0.00 N ATOM 614 CA VAL A 38 1.078 -4.611 -2.591 1.00 0.00 C ATOM 615 C VAL A 38 1.497 -6.072 -2.573 1.00 0.00 C ATOM 616 O VAL A 38 1.685 -6.686 -3.628 1.00 0.00 O ATOM 617 CB VAL A 38 -0.330 -4.491 -3.212 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.371 -5.184 -2.346 1.00 0.00 C ATOM 619 CG2 VAL A 38 -0.698 -3.032 -3.436 1.00 0.00 C ATOM 0 H VAL A 38 1.849 -3.703 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 38 1.034 -4.219 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.313 -4.991 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.353 -5.084 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.121 -6.241 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.386 -4.725 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.694 -2.971 -3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.688 -2.504 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.024 -2.574 -4.112 1.00 0.00 H new ATOM 629 N ASN A 39 1.673 -6.619 -1.378 1.00 0.00 N ATOM 630 CA ASN A 39 2.033 -8.022 -1.239 1.00 0.00 C ATOM 631 C ASN A 39 0.900 -8.900 -1.746 1.00 0.00 C ATOM 632 O ASN A 39 -0.191 -8.906 -1.183 1.00 0.00 O ATOM 633 CB ASN A 39 2.354 -8.394 0.215 1.00 0.00 C ATOM 634 CG ASN A 39 3.589 -7.698 0.758 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.708 -7.476 1.963 1.00 0.00 O ATOM 636 ND2 ASN A 39 4.514 -7.346 -0.121 1.00 0.00 N ATOM 0 H ASN A 39 1.573 -6.116 -0.496 1.00 0.00 H new ATOM 0 HA ASN A 39 2.931 -8.188 -1.833 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.499 -8.143 0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.495 -9.473 0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.362 -6.873 0.192 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.379 -7.547 -1.112 1.00 0.00 H new ATOM 643 N ARG A 40 1.160 -9.630 -2.819 1.00 0.00 N ATOM 644 CA ARG A 40 0.156 -10.504 -3.408 1.00 0.00 C ATOM 645 C ARG A 40 0.070 -11.798 -2.610 1.00 0.00 C ATOM 646 O ARG A 40 -0.919 -12.526 -2.674 1.00 0.00 O ATOM 647 CB ARG A 40 0.514 -10.777 -4.868 1.00 0.00 C ATOM 648 CG ARG A 40 -0.529 -11.559 -5.636 1.00 0.00 C ATOM 649 CD ARG A 40 -0.202 -11.578 -7.115 1.00 0.00 C ATOM 650 NE ARG A 40 -1.166 -12.364 -7.879 1.00 0.00 N ATOM 651 CZ ARG A 40 -1.398 -12.204 -9.182 1.00 0.00 C ATOM 652 NH1 ARG A 40 -0.687 -11.334 -9.893 1.00 0.00 N ATOM 653 NH2 ARG A 40 -2.331 -12.930 -9.781 1.00 0.00 N ATOM 0 H ARG A 40 2.059 -9.635 -3.301 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.821 -10.022 -3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.680 -9.825 -5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.457 -11.323 -4.901 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.578 -12.580 -5.256 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.512 -11.113 -5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.185 -10.557 -7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.797 -11.989 -7.260 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.696 -13.081 -7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.043 -10.782 -9.442 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.871 -11.218 -10.889 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.870 -13.610 -9.245 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.510 -12.809 -10.778 1.00 0.00 H new ATOM 667 N GLU A 41 1.114 -12.050 -1.833 1.00 0.00 N ATOM 668 CA GLU A 41 1.164 -13.209 -0.955 1.00 0.00 C ATOM 669 C GLU A 41 0.640 -12.835 0.435 1.00 0.00 C ATOM 670 O GLU A 41 0.963 -13.487 1.431 1.00 0.00 O ATOM 671 CB GLU A 41 2.601 -13.732 -0.847 1.00 0.00 C ATOM 672 CG GLU A 41 3.230 -14.109 -2.184 1.00 0.00 C ATOM 673 CD GLU A 41 2.497 -15.231 -2.893 1.00 0.00 C ATOM 674 OE1 GLU A 41 1.563 -14.938 -3.664 1.00 0.00 O ATOM 675 OE2 GLU A 41 2.861 -16.412 -2.687 1.00 0.00 O ATOM 0 H GLU A 41 1.945 -11.460 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 41 0.535 -13.994 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.218 -12.971 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.610 -14.605 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.249 -13.231 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.266 -14.407 -2.020 1.00 0.00 H new ATOM 682 N ALA A 42 -0.172 -11.782 0.491 1.00 0.00 N ATOM 683 CA ALA A 42 -0.742 -11.309 1.748 1.00 0.00 C ATOM 684 C ALA A 42 -1.847 -12.241 2.227 1.00 0.00 C ATOM 685 O ALA A 42 -3.025 -12.008 1.971 1.00 0.00 O ATOM 686 CB ALA A 42 -1.283 -9.897 1.588 1.00 0.00 C ATOM 0 H ALA A 42 -0.451 -11.238 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 42 0.050 -11.300 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.705 -9.559 2.535 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.474 -9.229 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.059 -9.889 0.822 1.00 0.00 H new ATOM 692 N ARG A 43 -1.455 -13.308 2.896 1.00 0.00 N ATOM 693 CA ARG A 43 -2.405 -14.283 3.407 1.00 0.00 C ATOM 694 C ARG A 43 -2.933 -13.857 4.767 1.00 0.00 C ATOM 695 O ARG A 43 -4.054 -14.187 5.147 1.00 0.00 O ATOM 696 CB ARG A 43 -1.725 -15.642 3.519 1.00 0.00 C ATOM 697 CG ARG A 43 -1.266 -16.197 2.181 1.00 0.00 C ATOM 698 CD ARG A 43 -0.395 -17.424 2.359 1.00 0.00 C ATOM 699 NE ARG A 43 0.843 -17.118 3.078 1.00 0.00 N ATOM 700 CZ ARG A 43 1.788 -18.019 3.343 1.00 0.00 C ATOM 701 NH1 ARG A 43 1.617 -19.285 2.977 1.00 0.00 N ATOM 702 NH2 ARG A 43 2.897 -17.657 3.979 1.00 0.00 N ATOM 0 H ARG A 43 -0.479 -13.524 3.100 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.246 -14.349 2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.865 -15.556 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.415 -16.349 3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.135 -16.451 1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.711 -15.431 1.639 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.951 -18.187 2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.153 -17.842 1.382 1.00 0.00 H new ATOM 0 HE ARG A 43 0.991 -16.160 3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.763 -19.565 2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.339 -19.976 3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.027 -16.687 4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.619 -18.349 4.180 1.00 0.00 H new ATOM 716 N MET A 44 -2.110 -13.121 5.495 1.00 0.00 N ATOM 717 CA MET A 44 -2.465 -12.672 6.834 1.00 0.00 C ATOM 718 C MET A 44 -3.087 -11.278 6.806 1.00 0.00 C ATOM 719 O MET A 44 -3.739 -10.860 7.765 1.00 0.00 O ATOM 720 CB MET A 44 -1.229 -12.681 7.733 1.00 0.00 C ATOM 721 CG MET A 44 -0.036 -11.961 7.127 1.00 0.00 C ATOM 722 SD MET A 44 1.342 -11.812 8.275 1.00 0.00 S ATOM 723 CE MET A 44 1.851 -13.523 8.410 1.00 0.00 C ATOM 0 H MET A 44 -1.187 -12.820 5.181 1.00 0.00 H new ATOM 0 HA MET A 44 -3.207 -13.361 7.236 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.479 -12.215 8.686 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.951 -13.713 7.946 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.294 -12.498 6.238 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.343 -10.966 6.803 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.817 -13.577 8.911 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.111 -14.078 8.987 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.934 -13.957 7.414 1.00 0.00 H new ATOM 733 N GLY A 45 -2.868 -10.555 5.710 1.00 0.00 N ATOM 734 CA GLY A 45 -3.445 -9.227 5.550 1.00 0.00 C ATOM 735 C GLY A 45 -2.687 -8.140 6.302 1.00 0.00 C ATOM 736 O GLY A 45 -2.870 -6.953 6.039 1.00 0.00 O ATOM 0 H GLY A 45 -2.297 -10.867 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.469 -8.975 4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.478 -9.244 5.897 1.00 0.00 H new ATOM 740 N ARG A 46 -1.828 -8.544 7.233 1.00 0.00 N ATOM 741 CA ARG A 46 -1.036 -7.606 8.018 1.00 0.00 C ATOM 742 C ARG A 46 0.177 -7.133 7.234 1.00 0.00 C ATOM 743 O ARG A 46 0.942 -6.290 7.692 1.00 0.00 O ATOM 744 CB ARG A 46 -0.570 -8.276 9.306 1.00 0.00 C ATOM 745 CG ARG A 46 -1.702 -8.643 10.241 1.00 0.00 C ATOM 746 CD ARG A 46 -1.184 -9.258 11.529 1.00 0.00 C ATOM 747 NE ARG A 46 -0.327 -8.333 12.271 1.00 0.00 N ATOM 748 CZ ARG A 46 0.702 -8.712 13.028 1.00 0.00 C ATOM 749 NH1 ARG A 46 1.049 -9.991 13.097 1.00 0.00 N ATOM 750 NH2 ARG A 46 1.398 -7.801 13.693 1.00 0.00 N ATOM 0 H ARG A 46 -1.663 -9.524 7.463 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.661 -6.744 8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.010 -9.177 9.055 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.117 -7.608 9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.288 -7.753 10.472 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.372 -9.346 9.745 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.026 -9.553 12.155 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.625 -10.165 11.299 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.530 -7.336 12.205 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.527 -10.690 12.569 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.838 -10.275 13.678 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.145 -6.815 13.624 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.187 -8.086 14.274 1.00 0.00 H new ATOM 764 N THR A 47 0.336 -7.683 6.047 1.00 0.00 N ATOM 765 CA THR A 47 1.485 -7.426 5.222 1.00 0.00 C ATOM 766 C THR A 47 1.013 -7.351 3.786 1.00 0.00 C ATOM 767 O THR A 47 0.819 -8.371 3.128 1.00 0.00 O ATOM 768 CB THR A 47 2.564 -8.531 5.376 1.00 0.00 C ATOM 769 OG1 THR A 47 2.070 -9.782 4.873 1.00 0.00 O ATOM 770 CG2 THR A 47 2.952 -8.715 6.833 1.00 0.00 C ATOM 0 H THR A 47 -0.338 -8.325 5.630 1.00 0.00 H new ATOM 0 HA THR A 47 1.949 -6.489 5.529 1.00 0.00 H new ATOM 0 HB THR A 47 3.439 -8.218 4.807 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.310 -9.618 4.276 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.709 -9.495 6.912 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.352 -7.780 7.224 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.073 -9.003 7.410 1.00 0.00 H new ATOM 778 N ALA A 48 0.793 -6.145 3.319 1.00 0.00 N ATOM 779 CA ALA A 48 0.232 -5.941 1.994 1.00 0.00 C ATOM 780 C ALA A 48 0.475 -4.528 1.503 1.00 0.00 C ATOM 781 O ALA A 48 0.861 -4.332 0.356 1.00 0.00 O ATOM 782 CB ALA A 48 -1.264 -6.236 2.007 1.00 0.00 C ATOM 0 H ALA A 48 0.992 -5.287 3.833 1.00 0.00 H new ATOM 0 HA ALA A 48 0.731 -6.628 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.674 -6.080 1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.428 -7.270 2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.760 -5.569 2.712 1.00 0.00 H new ATOM 788 N LEU A 49 0.275 -3.542 2.361 1.00 0.00 N ATOM 789 CA LEU A 49 0.528 -2.167 1.964 1.00 0.00 C ATOM 790 C LEU A 49 1.981 -1.787 2.238 1.00 0.00 C ATOM 791 O LEU A 49 2.312 -1.277 3.313 1.00 0.00 O ATOM 792 CB LEU A 49 -0.417 -1.195 2.678 1.00 0.00 C ATOM 793 CG LEU A 49 -0.229 0.279 2.304 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.535 0.504 0.831 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.104 1.164 3.175 1.00 0.00 C ATOM 0 H LEU A 49 -0.055 -3.663 3.318 1.00 0.00 H new ATOM 0 HA LEU A 49 0.340 -2.094 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.445 -1.483 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.280 -1.302 3.754 1.00 0.00 H new ATOM 0 HG LEU A 49 0.813 0.547 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.395 1.557 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.137 -0.102 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.567 0.218 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.958 2.208 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.150 0.893 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.832 1.027 4.222 1.00 0.00 H new ATOM 807 N ILE A 50 2.853 -2.074 1.283 1.00 0.00 N ATOM 808 CA ILE A 50 4.239 -1.657 1.381 1.00 0.00 C ATOM 809 C ILE A 50 4.395 -0.329 0.659 1.00 0.00 C ATOM 810 O ILE A 50 4.527 -0.296 -0.561 1.00 0.00 O ATOM 811 CB ILE A 50 5.220 -2.675 0.764 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.801 -4.123 1.062 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.617 -2.403 1.290 1.00 0.00 C ATOM 814 CD1 ILE A 50 4.739 -4.470 2.530 1.00 0.00 C ATOM 0 H ILE A 50 2.624 -2.592 0.435 1.00 0.00 H new ATOM 0 HA ILE A 50 4.483 -1.574 2.440 1.00 0.00 H new ATOM 0 HB ILE A 50 5.206 -2.556 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.822 -4.303 0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.502 -4.798 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.315 -3.120 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.919 -1.392 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.623 -2.501 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.435 -5.510 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.722 -4.327 2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.015 -3.824 3.026 1.00 0.00 H new ATOM 826 N ILE A 51 4.356 0.758 1.412 1.00 0.00 N ATOM 827 CA ILE A 51 4.275 2.085 0.820 1.00 0.00 C ATOM 828 C ILE A 51 5.584 2.521 0.150 1.00 0.00 C ATOM 829 O ILE A 51 5.706 2.464 -1.069 1.00 0.00 O ATOM 830 CB ILE A 51 3.820 3.145 1.854 1.00 0.00 C ATOM 831 CG1 ILE A 51 4.666 3.086 3.134 1.00 0.00 C ATOM 832 CG2 ILE A 51 2.352 2.945 2.193 1.00 0.00 C ATOM 833 CD1 ILE A 51 4.425 4.251 4.072 1.00 0.00 C ATOM 0 H ILE A 51 4.379 0.749 2.432 1.00 0.00 H new ATOM 0 HA ILE A 51 3.519 2.015 0.037 1.00 0.00 H new ATOM 0 HB ILE A 51 3.960 4.129 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.451 2.156 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.721 3.061 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.041 3.695 2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.753 3.047 1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.208 1.950 2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.056 4.144 4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.668 5.184 3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.378 4.264 4.374 1.00 0.00 H new ATOM 845 N HIS A 52 6.555 2.931 0.958 1.00 0.00 N ATOM 846 CA HIS A 52 7.781 3.558 0.479 1.00 0.00 C ATOM 847 C HIS A 52 8.506 4.126 1.694 1.00 0.00 C ATOM 848 O HIS A 52 7.852 4.496 2.668 1.00 0.00 O ATOM 849 CB HIS A 52 7.425 4.692 -0.514 1.00 0.00 C ATOM 850 CG HIS A 52 8.590 5.418 -1.131 1.00 0.00 C ATOM 851 ND1 HIS A 52 9.243 6.452 -0.503 1.00 0.00 N ATOM 852 CD2 HIS A 52 9.189 5.283 -2.339 1.00 0.00 C ATOM 853 CE1 HIS A 52 10.188 6.926 -1.288 1.00 0.00 C ATOM 854 NE2 HIS A 52 10.180 6.236 -2.415 1.00 0.00 N ATOM 0 H HIS A 52 6.513 2.837 1.973 1.00 0.00 H new ATOM 0 HA HIS A 52 8.416 2.838 -0.038 1.00 0.00 H new ATOM 0 HB2 HIS A 52 6.820 4.269 -1.316 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.802 5.420 0.005 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.028 6.800 0.431 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.936 4.561 -3.101 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.856 7.741 -1.051 1.00 0.00 H new ATOM 863 N PRO A 53 9.849 4.180 1.692 1.00 0.00 N ATOM 864 CA PRO A 53 10.588 4.907 2.725 1.00 0.00 C ATOM 865 C PRO A 53 10.258 6.399 2.660 1.00 0.00 C ATOM 866 O PRO A 53 9.256 6.781 2.050 1.00 0.00 O ATOM 867 CB PRO A 53 12.063 4.656 2.397 1.00 0.00 C ATOM 868 CG PRO A 53 12.079 3.533 1.413 1.00 0.00 C ATOM 869 CD PRO A 53 10.741 3.527 0.725 1.00 0.00 C ATOM 0 HA PRO A 53 10.334 4.577 3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.527 5.549 1.978 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.624 4.396 3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.883 3.667 0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.257 2.583 1.916 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.774 4.070 -0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.412 2.513 0.498 1.00 0.00 H new ATOM 877 N ARG A 54 11.079 7.238 3.285 1.00 0.00 N ATOM 878 CA ARG A 54 10.851 8.692 3.296 1.00 0.00 C ATOM 879 C ARG A 54 9.653 9.057 4.183 1.00 0.00 C ATOM 880 O ARG A 54 9.759 9.888 5.080 1.00 0.00 O ATOM 881 CB ARG A 54 10.616 9.230 1.871 1.00 0.00 C ATOM 882 CG ARG A 54 10.344 10.720 1.826 1.00 0.00 C ATOM 883 CD ARG A 54 9.421 11.107 0.676 1.00 0.00 C ATOM 884 NE ARG A 54 10.020 10.927 -0.647 1.00 0.00 N ATOM 885 CZ ARG A 54 10.933 11.748 -1.173 1.00 0.00 C ATOM 886 NH1 ARG A 54 11.505 12.693 -0.433 1.00 0.00 N ATOM 887 NH2 ARG A 54 11.275 11.622 -2.446 1.00 0.00 N ATOM 0 H ARG A 54 11.912 6.942 3.794 1.00 0.00 H new ATOM 0 HA ARG A 54 11.749 9.155 3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.490 9.009 1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.773 8.701 1.426 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.896 11.034 2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.288 11.256 1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.510 10.511 0.737 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.127 12.150 0.793 1.00 0.00 H new ATOM 0 HE ARG A 54 9.722 10.125 -1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.248 12.797 0.549 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.201 13.313 -0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.842 10.900 -3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.972 12.247 -2.851 1.00 0.00 H new ATOM 901 N LEU A 55 8.524 8.410 3.921 1.00 0.00 N ATOM 902 CA LEU A 55 7.268 8.695 4.599 1.00 0.00 C ATOM 903 C LEU A 55 7.138 7.947 5.918 1.00 0.00 C ATOM 904 O LEU A 55 6.083 7.977 6.537 1.00 0.00 O ATOM 905 CB LEU A 55 6.096 8.304 3.695 1.00 0.00 C ATOM 906 CG LEU A 55 5.755 9.302 2.591 1.00 0.00 C ATOM 907 CD1 LEU A 55 4.791 8.681 1.594 1.00 0.00 C ATOM 908 CD2 LEU A 55 5.147 10.552 3.203 1.00 0.00 C ATOM 0 H LEU A 55 8.455 7.667 3.226 1.00 0.00 H new ATOM 0 HA LEU A 55 7.254 9.764 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.321 7.342 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.212 8.161 4.317 1.00 0.00 H new ATOM 0 HG LEU A 55 6.669 9.572 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.558 9.405 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.249 7.799 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.873 8.392 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.904 11.263 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.239 10.287 3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.861 11.004 3.891 1.00 0.00 H new ATOM 920 N LYS A 56 8.201 7.284 6.350 1.00 0.00 N ATOM 921 CA LYS A 56 8.146 6.463 7.554 1.00 0.00 C ATOM 922 C LYS A 56 7.773 7.305 8.774 1.00 0.00 C ATOM 923 O LYS A 56 6.889 6.932 9.551 1.00 0.00 O ATOM 924 CB LYS A 56 9.485 5.755 7.778 1.00 0.00 C ATOM 925 CG LYS A 56 9.508 4.861 9.010 1.00 0.00 C ATOM 926 CD LYS A 56 10.831 4.120 9.147 1.00 0.00 C ATOM 927 CE LYS A 56 12.015 5.076 9.154 1.00 0.00 C ATOM 928 NZ LYS A 56 11.975 6.014 10.306 1.00 0.00 N ATOM 0 H LYS A 56 9.110 7.297 5.887 1.00 0.00 H new ATOM 0 HA LYS A 56 7.372 5.708 7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.719 5.154 6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.271 6.505 7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.336 5.465 9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.692 4.140 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.828 3.538 10.069 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.939 3.413 8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.942 4.503 9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.025 5.645 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.834 6.600 10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.139 6.627 10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.924 5.473 11.193 1.00 0.00 H new ATOM 942 N ASP A 57 8.430 8.448 8.920 1.00 0.00 N ATOM 943 CA ASP A 57 8.159 9.350 10.037 1.00 0.00 C ATOM 944 C ASP A 57 6.739 9.910 9.974 1.00 0.00 C ATOM 945 O ASP A 57 6.047 9.972 10.992 1.00 0.00 O ATOM 946 CB ASP A 57 9.191 10.490 10.106 1.00 0.00 C ATOM 947 CG ASP A 57 9.522 11.108 8.759 1.00 0.00 C ATOM 948 OD1 ASP A 57 8.609 11.617 8.082 1.00 0.00 O ATOM 949 OD2 ASP A 57 10.717 11.085 8.373 1.00 0.00 O ATOM 0 H ASP A 57 9.154 8.774 8.281 1.00 0.00 H new ATOM 0 HA ASP A 57 8.247 8.762 10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.813 11.269 10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.108 10.109 10.554 1.00 0.00 H new ATOM 954 N ARG A 58 6.297 10.305 8.785 1.00 0.00 N ATOM 955 CA ARG A 58 4.943 10.823 8.606 1.00 0.00 C ATOM 956 C ARG A 58 3.903 9.727 8.831 1.00 0.00 C ATOM 957 O ARG A 58 2.938 9.913 9.575 1.00 0.00 O ATOM 958 CB ARG A 58 4.765 11.415 7.205 1.00 0.00 C ATOM 959 CG ARG A 58 3.345 11.898 6.939 1.00 0.00 C ATOM 960 CD ARG A 58 2.983 13.075 7.831 1.00 0.00 C ATOM 961 NE ARG A 58 1.535 13.241 7.984 1.00 0.00 N ATOM 962 CZ ARG A 58 0.700 13.627 7.011 1.00 0.00 C ATOM 963 NH1 ARG A 58 1.158 13.868 5.789 1.00 0.00 N ATOM 964 NH2 ARG A 58 -0.594 13.771 7.272 1.00 0.00 N ATOM 0 H ARG A 58 6.855 10.277 7.931 1.00 0.00 H new ATOM 0 HA ARG A 58 4.794 11.609 9.346 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.456 12.248 7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.032 10.663 6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.248 12.189 5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.643 11.081 7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.435 12.934 8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.408 13.988 7.412 1.00 0.00 H new ATOM 0 HE ARG A 58 1.133 13.048 8.901 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.152 13.759 5.586 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.516 14.162 5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.948 13.588 8.211 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.234 14.065 6.534 1.00 0.00 H new ATOM 978 N SER A 59 4.110 8.589 8.182 1.00 0.00 N ATOM 979 CA SER A 59 3.184 7.470 8.251 1.00 0.00 C ATOM 980 C SER A 59 3.023 6.976 9.687 1.00 0.00 C ATOM 981 O SER A 59 1.962 6.491 10.061 1.00 0.00 O ATOM 982 CB SER A 59 3.665 6.340 7.326 1.00 0.00 C ATOM 983 OG SER A 59 2.951 5.130 7.532 1.00 0.00 O ATOM 0 H SER A 59 4.925 8.417 7.593 1.00 0.00 H new ATOM 0 HA SER A 59 2.204 7.805 7.913 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.553 6.652 6.288 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.728 6.165 7.494 1.00 0.00 H new ATOM 0 HG SER A 59 3.476 4.378 7.188 1.00 0.00 H new ATOM 989 N SER A 60 4.070 7.130 10.488 1.00 0.00 N ATOM 990 CA SER A 60 4.042 6.719 11.886 1.00 0.00 C ATOM 991 C SER A 60 2.946 7.462 12.658 1.00 0.00 C ATOM 992 O SER A 60 2.392 6.943 13.624 1.00 0.00 O ATOM 993 CB SER A 60 5.412 6.971 12.526 1.00 0.00 C ATOM 994 OG SER A 60 5.451 6.514 13.867 1.00 0.00 O ATOM 0 H SER A 60 4.955 7.540 10.190 1.00 0.00 H new ATOM 0 HA SER A 60 3.816 5.654 11.930 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.184 6.466 11.946 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.638 8.037 12.497 1.00 0.00 H new ATOM 0 HG SER A 60 6.338 6.688 14.246 1.00 0.00 H new ATOM 1000 N SER A 61 2.617 8.668 12.209 1.00 0.00 N ATOM 1001 CA SER A 61 1.617 9.488 12.882 1.00 0.00 C ATOM 1002 C SER A 61 0.201 9.118 12.441 1.00 0.00 C ATOM 1003 O SER A 61 -0.781 9.675 12.935 1.00 0.00 O ATOM 1004 CB SER A 61 1.885 10.964 12.592 1.00 0.00 C ATOM 1005 OG SER A 61 3.215 11.314 12.943 1.00 0.00 O ATOM 0 H SER A 61 3.028 9.100 11.381 1.00 0.00 H new ATOM 0 HA SER A 61 1.691 9.304 13.954 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.718 11.167 11.534 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.182 11.582 13.150 1.00 0.00 H new ATOM 0 HG SER A 61 3.366 12.262 12.748 1.00 0.00 H new ATOM 1011 N LEU A 62 0.103 8.179 11.510 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.187 7.749 10.986 1.00 0.00 C ATOM 1013 C LEU A 62 -1.241 6.232 10.882 1.00 0.00 C ATOM 1014 O LEU A 62 -1.725 5.546 11.786 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.444 8.370 9.608 1.00 0.00 C ATOM 1016 CG LEU A 62 -1.635 9.887 9.592 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -1.630 10.404 8.166 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -2.938 10.262 10.284 1.00 0.00 C ATOM 0 H LEU A 62 0.904 7.699 11.101 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.961 8.086 11.675 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.608 8.120 8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.332 7.905 9.180 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.808 10.347 10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.767 11.485 8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.678 10.161 7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.441 9.938 7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.061 11.345 10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.774 9.793 9.765 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.913 9.917 11.318 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.717 5.715 9.783 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.691 4.287 9.542 1.00 0.00 C ATOM 1032 C ALA A 63 0.596 3.685 10.082 1.00 0.00 C ATOM 1033 O ALA A 63 1.635 3.710 9.416 1.00 0.00 O ATOM 1034 CB ALA A 63 -0.831 4.002 8.058 1.00 0.00 C ATOM 0 H ALA A 63 -0.300 6.273 9.038 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.532 3.828 10.063 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.810 2.925 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.777 4.407 7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.007 4.469 7.518 1.00 0.00 H new ATOM 1040 N ASP A 64 0.528 3.175 11.297 1.00 0.00 N ATOM 1041 CA ASP A 64 1.689 2.587 11.946 1.00 0.00 C ATOM 1042 C ASP A 64 2.152 1.348 11.186 1.00 0.00 C ATOM 1043 O ASP A 64 1.341 0.609 10.622 1.00 0.00 O ATOM 1044 CB ASP A 64 1.374 2.238 13.406 1.00 0.00 C ATOM 1045 CG ASP A 64 0.276 1.204 13.542 1.00 0.00 C ATOM 1046 OD1 ASP A 64 -0.914 1.572 13.422 1.00 0.00 O ATOM 1047 OD2 ASP A 64 0.594 0.019 13.776 1.00 0.00 O ATOM 0 H ASP A 64 -0.323 3.155 11.859 1.00 0.00 H new ATOM 0 HA ASP A 64 2.496 3.319 11.937 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.278 1.866 13.888 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.080 3.144 13.935 1.00 0.00 H new ATOM 1052 N PRO A 65 3.472 1.129 11.125 1.00 0.00 N ATOM 1053 CA PRO A 65 4.054 -0.020 10.435 1.00 0.00 C ATOM 1054 C PRO A 65 3.743 -1.331 11.146 1.00 0.00 C ATOM 1055 O PRO A 65 3.808 -1.414 12.374 1.00 0.00 O ATOM 1056 CB PRO A 65 5.564 0.258 10.460 1.00 0.00 C ATOM 1057 CG PRO A 65 5.703 1.687 10.864 1.00 0.00 C ATOM 1058 CD PRO A 65 4.506 1.989 11.715 1.00 0.00 C ATOM 0 HA PRO A 65 3.652 -0.133 9.428 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.072 -0.400 11.165 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.011 0.082 9.482 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.628 1.849 11.418 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.737 2.339 9.991 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.683 1.750 12.764 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.232 3.043 11.670 1.00 0.00 H new ATOM 1066 N ALA A 66 3.413 -2.351 10.365 1.00 0.00 N ATOM 1067 CA ALA A 66 3.085 -3.662 10.909 1.00 0.00 C ATOM 1068 C ALA A 66 4.337 -4.373 11.407 1.00 0.00 C ATOM 1069 O ALA A 66 4.272 -5.242 12.274 1.00 0.00 O ATOM 1070 CB ALA A 66 2.380 -4.506 9.859 1.00 0.00 C ATOM 0 H ALA A 66 3.365 -2.295 9.348 1.00 0.00 H new ATOM 0 HA ALA A 66 2.414 -3.522 11.757 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.140 -5.483 10.278 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.461 -4.009 9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.033 -4.632 8.995 1.00 0.00 H new ATOM 1076 N SER A 67 5.472 -3.999 10.843 1.00 0.00 N ATOM 1077 CA SER A 67 6.752 -4.545 11.250 1.00 0.00 C ATOM 1078 C SER A 67 7.814 -3.462 11.131 1.00 0.00 C ATOM 1079 O SER A 67 7.487 -2.296 10.908 1.00 0.00 O ATOM 1080 CB SER A 67 7.109 -5.754 10.377 1.00 0.00 C ATOM 1081 OG SER A 67 8.286 -6.403 10.827 1.00 0.00 O ATOM 0 H SER A 67 5.531 -3.311 10.093 1.00 0.00 H new ATOM 0 HA SER A 67 6.698 -4.880 12.286 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.280 -6.462 10.381 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.246 -5.429 9.346 1.00 0.00 H new ATOM 0 HG SER A 67 8.480 -7.169 10.247 1.00 0.00 H new ATOM 1087 N ASP A 68 9.070 -3.844 11.286 1.00 0.00 N ATOM 1088 CA ASP A 68 10.178 -2.913 11.168 1.00 0.00 C ATOM 1089 C ASP A 68 10.311 -2.458 9.724 1.00 0.00 C ATOM 1090 O ASP A 68 9.902 -1.354 9.359 1.00 0.00 O ATOM 1091 CB ASP A 68 11.478 -3.583 11.623 1.00 0.00 C ATOM 1092 CG ASP A 68 11.463 -3.988 13.081 1.00 0.00 C ATOM 1093 OD1 ASP A 68 10.854 -5.032 13.407 1.00 0.00 O ATOM 1094 OD2 ASP A 68 12.077 -3.278 13.904 1.00 0.00 O ATOM 0 H ASP A 68 9.349 -4.802 11.496 1.00 0.00 H new ATOM 0 HA ASP A 68 9.986 -2.048 11.803 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.658 -4.466 11.010 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.310 -2.900 11.451 1.00 0.00 H new ATOM 1099 N ILE A 69 10.877 -3.334 8.912 1.00 0.00 N ATOM 1100 CA ILE A 69 10.971 -3.142 7.474 1.00 0.00 C ATOM 1101 C ILE A 69 10.800 -4.499 6.806 1.00 0.00 C ATOM 1102 O ILE A 69 10.866 -5.527 7.482 1.00 0.00 O ATOM 1103 CB ILE A 69 12.326 -2.528 7.041 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.494 -3.346 7.606 1.00 0.00 C ATOM 1105 CG2 ILE A 69 12.424 -1.070 7.473 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.857 -2.853 7.165 1.00 0.00 C ATOM 0 H ILE A 69 11.289 -4.209 9.236 1.00 0.00 H new ATOM 0 HA ILE A 69 10.192 -2.442 7.172 1.00 0.00 H new ATOM 0 HB ILE A 69 12.383 -2.560 5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.446 -3.326 8.695 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.378 -4.386 7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.384 -0.661 7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.618 -0.499 7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.341 -1.006 8.558 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.631 -3.482 7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.926 -2.899 6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.995 -1.823 7.494 1.00 0.00 H new ATOM 1118 N LYS A 70 10.567 -4.518 5.508 1.00 0.00 N ATOM 1119 CA LYS A 70 10.437 -5.779 4.800 1.00 0.00 C ATOM 1120 C LYS A 70 11.273 -5.767 3.527 1.00 0.00 C ATOM 1121 O LYS A 70 10.991 -5.016 2.596 1.00 0.00 O ATOM 1122 CB LYS A 70 8.966 -6.079 4.482 1.00 0.00 C ATOM 1123 CG LYS A 70 8.759 -7.454 3.878 1.00 0.00 C ATOM 1124 CD LYS A 70 7.293 -7.854 3.875 1.00 0.00 C ATOM 1125 CE LYS A 70 7.125 -9.303 3.446 1.00 0.00 C ATOM 1126 NZ LYS A 70 7.945 -10.225 4.281 1.00 0.00 N ATOM 0 H LYS A 70 10.465 -3.686 4.927 1.00 0.00 H new ATOM 0 HA LYS A 70 10.810 -6.573 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.378 -5.998 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.588 -5.325 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.141 -7.464 2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.335 -8.189 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.872 -7.715 4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.736 -7.204 3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.074 -9.584 3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.412 -9.408 2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.558 -11.188 4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.927 -10.223 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.923 -9.908 5.271 1.00 0.00 H new ATOM 1140 N THR A 71 12.319 -6.580 3.512 1.00 0.00 N ATOM 1141 CA THR A 71 13.168 -6.729 2.337 1.00 0.00 C ATOM 1142 C THR A 71 12.707 -7.931 1.523 1.00 0.00 C ATOM 1143 O THR A 71 12.537 -9.015 2.084 1.00 0.00 O ATOM 1144 CB THR A 71 14.641 -6.928 2.749 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.734 -7.927 3.777 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.255 -5.630 3.253 1.00 0.00 C ATOM 0 H THR A 71 12.603 -7.152 4.308 1.00 0.00 H new ATOM 0 HA THR A 71 13.090 -5.822 1.738 1.00 0.00 H new ATOM 0 HB THR A 71 15.192 -7.252 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.020 -8.587 3.657 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.293 -5.804 3.535 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.214 -4.878 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.698 -5.277 4.120 1.00 0.00 H new ATOM 1154 N CYS A 72 12.516 -7.763 0.209 1.00 0.00 N ATOM 1155 CA CYS A 72 11.952 -8.850 -0.593 1.00 0.00 C ATOM 1156 C CYS A 72 11.776 -8.501 -2.071 1.00 0.00 C ATOM 1157 O CYS A 72 10.808 -7.843 -2.457 1.00 0.00 O ATOM 1158 CB CYS A 72 10.592 -9.293 -0.026 1.00 0.00 C ATOM 1159 SG CYS A 72 9.861 -10.718 -0.871 1.00 0.00 S ATOM 0 H CYS A 72 12.736 -6.911 -0.307 1.00 0.00 H new ATOM 0 HA CYS A 72 12.680 -9.659 -0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.713 -9.534 1.030 1.00 0.00 H new ATOM 0 HB3 CYS A 72 9.897 -8.455 -0.084 1.00 0.00 H new ATOM 0 HG CYS A 72 8.722 -11.013 -0.319 1.00 0.00 H new ATOM 1165 N ASP A 73 12.745 -8.926 -2.873 1.00 0.00 N ATOM 1166 CA ASP A 73 12.549 -9.188 -4.302 1.00 0.00 C ATOM 1167 C ASP A 73 12.041 -7.987 -5.121 1.00 0.00 C ATOM 1168 O ASP A 73 12.833 -7.212 -5.657 1.00 0.00 O ATOM 1169 CB ASP A 73 11.594 -10.380 -4.441 1.00 0.00 C ATOM 1170 CG ASP A 73 11.467 -10.906 -5.853 1.00 0.00 C ATOM 1171 OD1 ASP A 73 12.502 -11.106 -6.518 1.00 0.00 O ATOM 1172 OD2 ASP A 73 10.329 -11.152 -6.294 1.00 0.00 O ATOM 0 H ASP A 73 13.697 -9.101 -2.552 1.00 0.00 H new ATOM 0 HA ASP A 73 13.530 -9.405 -4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.939 -11.186 -3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.607 -10.085 -4.084 1.00 0.00 H new ATOM 1177 N HIS A 74 10.723 -7.820 -5.193 1.00 0.00 N ATOM 1178 CA HIS A 74 10.115 -6.919 -6.177 1.00 0.00 C ATOM 1179 C HIS A 74 10.040 -5.473 -5.706 1.00 0.00 C ATOM 1180 O HIS A 74 9.489 -4.627 -6.405 1.00 0.00 O ATOM 1181 CB HIS A 74 8.705 -7.386 -6.547 1.00 0.00 C ATOM 1182 CG HIS A 74 8.666 -8.617 -7.397 1.00 0.00 C ATOM 1183 ND1 HIS A 74 7.831 -9.681 -7.136 1.00 0.00 N ATOM 1184 CD2 HIS A 74 9.342 -8.938 -8.525 1.00 0.00 C ATOM 1185 CE1 HIS A 74 7.995 -10.603 -8.068 1.00 0.00 C ATOM 1186 NE2 HIS A 74 8.904 -10.177 -8.922 1.00 0.00 N ATOM 0 H HIS A 74 10.055 -8.294 -4.585 1.00 0.00 H new ATOM 0 HA HIS A 74 10.770 -6.954 -7.048 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.145 -7.574 -5.631 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.194 -6.579 -7.073 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.087 -8.333 -9.020 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.472 -11.547 -8.121 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.229 -10.685 -9.744 1.00 0.00 H new ATOM 1195 N TYR A 75 10.598 -5.172 -4.548 1.00 0.00 N ATOM 1196 CA TYR A 75 10.523 -3.815 -4.008 1.00 0.00 C ATOM 1197 C TYR A 75 11.601 -2.923 -4.630 1.00 0.00 C ATOM 1198 O TYR A 75 12.099 -2.000 -3.987 1.00 0.00 O ATOM 1199 CB TYR A 75 10.698 -3.834 -2.486 1.00 0.00 C ATOM 1200 CG TYR A 75 9.751 -4.756 -1.748 1.00 0.00 C ATOM 1201 CD1 TYR A 75 8.535 -5.147 -2.298 1.00 0.00 C ATOM 1202 CD2 TYR A 75 10.085 -5.239 -0.492 1.00 0.00 C ATOM 1203 CE1 TYR A 75 7.684 -5.996 -1.616 1.00 0.00 C ATOM 1204 CE2 TYR A 75 9.241 -6.085 0.196 1.00 0.00 C ATOM 1205 CZ TYR A 75 8.045 -6.463 -0.368 1.00 0.00 C ATOM 1206 OH TYR A 75 7.209 -7.312 0.319 1.00 0.00 O ATOM 0 H TYR A 75 11.105 -5.837 -3.964 1.00 0.00 H new ATOM 0 HA TYR A 75 9.541 -3.411 -4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.722 -4.129 -2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.565 -2.821 -2.107 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.251 -4.781 -3.274 1.00 0.00 H new ATOM 0 HD2 TYR A 75 11.024 -4.947 -0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.743 -6.292 -2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.518 -6.449 1.174 1.00 0.00 H new ATOM 0 HH TYR A 75 7.615 -7.545 1.180 1.00 0.00 H new ATOM 1216 N GLN A 76 11.924 -3.170 -5.893 1.00 0.00 N ATOM 1217 CA GLN A 76 13.094 -2.576 -6.516 1.00 0.00 C ATOM 1218 C GLN A 76 12.997 -1.061 -6.688 1.00 0.00 C ATOM 1219 O GLN A 76 14.025 -0.392 -6.770 1.00 0.00 O ATOM 1220 CB GLN A 76 13.377 -3.238 -7.853 1.00 0.00 C ATOM 1221 CG GLN A 76 12.229 -3.131 -8.847 1.00 0.00 C ATOM 1222 CD GLN A 76 12.511 -3.827 -10.166 1.00 0.00 C ATOM 1223 OE1 GLN A 76 13.774 -3.869 -10.564 1.00 0.00 O flip ATOM 1224 NE2 GLN A 76 11.598 -4.320 -10.827 1.00 0.00 N flip ATOM 0 H GLN A 76 11.387 -3.782 -6.507 1.00 0.00 H new ATOM 0 HA GLN A 76 13.923 -2.754 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 76 14.267 -2.786 -8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.603 -4.291 -7.686 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.331 -3.560 -8.402 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.019 -2.078 -9.037 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.637 -4.268 -10.488 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.802 -4.781 -11.714 1.00 0.00 H new ATOM 1233 N ASN A 77 11.788 -0.514 -6.742 1.00 0.00 N ATOM 1234 CA ASN A 77 11.635 0.937 -6.829 1.00 0.00 C ATOM 1235 C ASN A 77 12.172 1.602 -5.564 1.00 0.00 C ATOM 1236 O ASN A 77 12.583 2.762 -5.581 1.00 0.00 O ATOM 1237 CB ASN A 77 10.169 1.329 -7.050 1.00 0.00 C ATOM 1238 CG ASN A 77 9.962 2.834 -7.052 1.00 0.00 C ATOM 1239 OD1 ASN A 77 9.612 3.387 -5.896 1.00 0.00 O flip ATOM 1240 ND2 ASN A 77 10.095 3.492 -8.086 1.00 0.00 N flip ATOM 0 H ASN A 77 10.914 -1.039 -6.728 1.00 0.00 H new ATOM 0 HA ASN A 77 12.211 1.285 -7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.825 0.917 -7.999 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.555 0.882 -6.268 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.365 3.029 -8.954 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.935 4.499 -8.074 1.00 0.00 H new ATOM 1247 N PHE A 78 12.182 0.849 -4.471 1.00 0.00 N ATOM 1248 CA PHE A 78 12.651 1.362 -3.195 1.00 0.00 C ATOM 1249 C PHE A 78 14.171 1.491 -3.189 1.00 0.00 C ATOM 1250 O PHE A 78 14.868 0.746 -3.885 1.00 0.00 O ATOM 1251 CB PHE A 78 12.185 0.460 -2.047 1.00 0.00 C ATOM 1252 CG PHE A 78 10.691 0.401 -1.901 1.00 0.00 C ATOM 1253 CD1 PHE A 78 9.906 1.496 -2.224 1.00 0.00 C ATOM 1254 CD2 PHE A 78 10.070 -0.752 -1.450 1.00 0.00 C ATOM 1255 CE1 PHE A 78 8.534 1.442 -2.098 1.00 0.00 C ATOM 1256 CE2 PHE A 78 8.696 -0.812 -1.323 1.00 0.00 C ATOM 1257 CZ PHE A 78 7.927 0.287 -1.648 1.00 0.00 C ATOM 0 H PHE A 78 11.869 -0.122 -4.445 1.00 0.00 H new ATOM 0 HA PHE A 78 12.223 2.354 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 78 12.566 -0.548 -2.209 1.00 0.00 H new ATOM 0 HB3 PHE A 78 12.620 0.819 -1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 78 10.374 2.402 -2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.667 -1.615 -1.195 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.934 2.304 -2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.224 -1.717 -0.970 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.852 0.243 -1.550 1.00 0.00 H new ATOM 1267 N PRO A 79 14.684 2.440 -2.381 1.00 0.00 N ATOM 1268 CA PRO A 79 16.119 2.784 -2.288 1.00 0.00 C ATOM 1269 C PRO A 79 17.061 1.582 -2.141 1.00 0.00 C ATOM 1270 O PRO A 79 18.251 1.698 -2.428 1.00 0.00 O ATOM 1271 CB PRO A 79 16.182 3.649 -1.028 1.00 0.00 C ATOM 1272 CG PRO A 79 14.842 4.293 -0.951 1.00 0.00 C ATOM 1273 CD PRO A 79 13.870 3.285 -1.491 1.00 0.00 C ATOM 0 HA PRO A 79 16.457 3.266 -3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 79 16.384 3.046 -0.143 1.00 0.00 H new ATOM 0 HB3 PRO A 79 16.976 4.392 -1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 79 14.596 4.561 0.076 1.00 0.00 H new ATOM 0 HG3 PRO A 79 14.816 5.213 -1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.417 2.700 -0.691 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.056 3.767 -2.033 1.00 0.00 H new ATOM 1281 N LEU A 80 16.526 0.449 -1.682 1.00 0.00 N ATOM 1282 CA LEU A 80 17.301 -0.786 -1.515 1.00 0.00 C ATOM 1283 C LEU A 80 18.207 -0.699 -0.281 1.00 0.00 C ATOM 1284 O LEU A 80 18.881 0.304 -0.047 1.00 0.00 O ATOM 1285 CB LEU A 80 18.074 -1.135 -2.819 1.00 0.00 C ATOM 1286 CG LEU A 80 18.941 -2.407 -2.803 1.00 0.00 C ATOM 1287 CD1 LEU A 80 19.296 -2.832 -4.218 1.00 0.00 C ATOM 1288 CD2 LEU A 80 20.221 -2.193 -2.032 1.00 0.00 C ATOM 0 H LEU A 80 15.545 0.360 -1.416 1.00 0.00 H new ATOM 0 HA LEU A 80 16.614 -1.613 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.348 -1.231 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.717 -0.291 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 80 18.354 -3.186 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.909 -3.733 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.383 -3.035 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.852 -2.033 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.809 -3.111 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.795 -1.390 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.985 -1.923 -1.003 1.00 0.00 H new ATOM 1300 N TYR A 81 18.187 -1.764 0.513 1.00 0.00 N ATOM 1301 CA TYR A 81 18.916 -1.818 1.772 1.00 0.00 C ATOM 1302 C TYR A 81 20.297 -2.426 1.548 1.00 0.00 C ATOM 1303 O TYR A 81 20.419 -3.582 1.127 1.00 0.00 O ATOM 1304 CB TYR A 81 18.115 -2.654 2.779 1.00 0.00 C ATOM 1305 CG TYR A 81 18.642 -2.630 4.197 1.00 0.00 C ATOM 1306 CD1 TYR A 81 18.299 -1.601 5.065 1.00 0.00 C ATOM 1307 CD2 TYR A 81 19.461 -3.647 4.675 1.00 0.00 C ATOM 1308 CE1 TYR A 81 18.758 -1.585 6.368 1.00 0.00 C ATOM 1309 CE2 TYR A 81 19.917 -3.641 5.978 1.00 0.00 C ATOM 1310 CZ TYR A 81 19.565 -2.606 6.820 1.00 0.00 C ATOM 1311 OH TYR A 81 20.010 -2.599 8.123 1.00 0.00 O ATOM 0 H TYR A 81 17.664 -2.614 0.301 1.00 0.00 H new ATOM 0 HA TYR A 81 19.047 -0.811 2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.085 -2.298 2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.093 -3.688 2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 81 17.663 -0.801 4.716 1.00 0.00 H new ATOM 0 HD2 TYR A 81 19.745 -4.454 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.485 -0.776 7.029 1.00 0.00 H new ATOM 0 HE2 TYR A 81 20.546 -4.442 6.337 1.00 0.00 H new ATOM 0 HH TYR A 81 20.567 -3.389 8.283 1.00 0.00 H new ATOM 1321 N LEU A 82 21.332 -1.641 1.810 1.00 0.00 N ATOM 1322 CA LEU A 82 22.699 -2.074 1.575 1.00 0.00 C ATOM 1323 C LEU A 82 23.215 -2.968 2.687 1.00 0.00 C ATOM 1324 O LEU A 82 23.349 -2.546 3.837 1.00 0.00 O ATOM 1325 CB LEU A 82 23.634 -0.878 1.412 1.00 0.00 C ATOM 1326 CG LEU A 82 23.477 -0.097 0.108 1.00 0.00 C ATOM 1327 CD1 LEU A 82 24.561 0.957 0.009 1.00 0.00 C ATOM 1328 CD2 LEU A 82 23.534 -1.038 -1.087 1.00 0.00 C ATOM 0 H LEU A 82 21.249 -0.697 2.187 1.00 0.00 H new ATOM 0 HA LEU A 82 22.685 -2.651 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 82 23.472 -0.195 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 82 24.663 -1.230 1.483 1.00 0.00 H new ATOM 0 HG LEU A 82 22.505 0.396 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 82 24.445 1.512 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.480 1.643 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.539 0.476 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 82 23.421 -0.465 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 82 24.494 -1.555 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 82 22.729 -1.769 -1.013 1.00 0.00 H new ATOM 1340 N GLY A 83 23.489 -4.209 2.322 1.00 0.00 N ATOM 1341 CA GLY A 83 24.163 -5.133 3.212 1.00 0.00 C ATOM 1342 C GLY A 83 25.602 -5.339 2.786 1.00 0.00 C ATOM 1343 O GLY A 83 26.144 -4.515 2.050 1.00 0.00 O ATOM 0 H GLY A 83 23.253 -4.599 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 83 24.132 -4.750 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.640 -6.089 3.215 1.00 0.00 H new ATOM 1347 N GLY A 84 26.209 -6.436 3.220 1.00 0.00 N ATOM 1348 CA GLY A 84 27.593 -6.712 2.869 1.00 0.00 C ATOM 1349 C GLY A 84 27.774 -7.026 1.395 1.00 0.00 C ATOM 1350 O GLY A 84 28.122 -6.151 0.602 1.00 0.00 O ATOM 0 H GLY A 84 25.769 -7.142 3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 84 28.208 -5.851 3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 84 27.953 -7.553 3.462 1.00 0.00 H new ATOM 1354 N GLU A 85 27.538 -8.279 1.031 1.00 0.00 N ATOM 1355 CA GLU A 85 27.632 -8.704 -0.360 1.00 0.00 C ATOM 1356 C GLU A 85 26.291 -8.525 -1.041 1.00 0.00 C ATOM 1357 O GLU A 85 26.141 -7.736 -1.976 1.00 0.00 O ATOM 1358 CB GLU A 85 28.045 -10.175 -0.446 1.00 0.00 C ATOM 1359 CG GLU A 85 28.042 -10.724 -1.867 1.00 0.00 C ATOM 1360 CD GLU A 85 28.270 -12.219 -1.925 1.00 0.00 C ATOM 1361 OE1 GLU A 85 27.418 -12.977 -1.412 1.00 0.00 O ATOM 1362 OE2 GLU A 85 29.287 -12.645 -2.508 1.00 0.00 O ATOM 0 H GLU A 85 27.279 -9.021 1.681 1.00 0.00 H new ATOM 0 HA GLU A 85 28.385 -8.093 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 85 29.043 -10.290 -0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 85 27.368 -10.771 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 85 27.088 -10.489 -2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 85 28.817 -10.221 -2.446 1.00 0.00 H new ATOM 1369 N THR A 86 25.321 -9.271 -0.556 1.00 0.00 N ATOM 1370 CA THR A 86 23.981 -9.233 -1.096 1.00 0.00 C ATOM 1371 C THR A 86 23.204 -8.037 -0.563 1.00 0.00 C ATOM 1372 O THR A 86 23.404 -7.598 0.573 1.00 0.00 O ATOM 1373 CB THR A 86 23.227 -10.537 -0.778 1.00 0.00 C ATOM 1374 OG1 THR A 86 23.546 -10.980 0.551 1.00 0.00 O ATOM 1375 CG2 THR A 86 23.585 -11.622 -1.780 1.00 0.00 C ATOM 0 H THR A 86 25.440 -9.919 0.222 1.00 0.00 H new ATOM 0 HA THR A 86 24.066 -9.131 -2.178 1.00 0.00 H new ATOM 0 HB THR A 86 22.157 -10.339 -0.845 1.00 0.00 H new ATOM 0 HG1 THR A 86 23.061 -11.809 0.745 1.00 0.00 H new ATOM 0 HG21 THR A 86 23.041 -12.535 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 86 23.314 -11.294 -2.784 1.00 0.00 H new ATOM 0 HG23 THR A 86 24.657 -11.816 -1.739 1.00 0.00 H new ATOM 1383 N HIS A 87 22.347 -7.485 -1.404 1.00 0.00 N ATOM 1384 CA HIS A 87 21.518 -6.359 -1.014 1.00 0.00 C ATOM 1385 C HIS A 87 20.078 -6.642 -1.411 1.00 0.00 C ATOM 1386 O HIS A 87 19.830 -7.299 -2.421 1.00 0.00 O ATOM 1387 CB HIS A 87 21.987 -5.060 -1.678 1.00 0.00 C ATOM 1388 CG HIS A 87 23.477 -4.890 -1.776 1.00 0.00 C ATOM 1389 ND1 HIS A 87 24.332 -5.010 -0.699 1.00 0.00 N ATOM 1390 CD2 HIS A 87 24.260 -4.585 -2.837 1.00 0.00 C ATOM 1391 CE1 HIS A 87 25.569 -4.779 -1.095 1.00 0.00 C ATOM 1392 NE2 HIS A 87 25.553 -4.522 -2.385 1.00 0.00 N ATOM 0 H HIS A 87 22.207 -7.800 -2.364 1.00 0.00 H new ATOM 0 HA HIS A 87 21.597 -6.231 0.066 1.00 0.00 H new ATOM 0 HB2 HIS A 87 21.566 -5.012 -2.682 1.00 0.00 H new ATOM 0 HB3 HIS A 87 21.578 -4.218 -1.120 1.00 0.00 H new ATOM 0 HD2 HIS A 87 23.928 -4.422 -3.852 1.00 0.00 H new ATOM 0 HE1 HIS A 87 26.447 -4.798 -0.466 1.00 0.00 H new ATOM 0 HE2 HIS A 87 26.371 -4.310 -2.957 1.00 0.00 H new ATOM 1401 N GLU A 88 19.133 -6.137 -0.635 1.00 0.00 N ATOM 1402 CA GLU A 88 17.730 -6.422 -0.869 1.00 0.00 C ATOM 1403 C GLU A 88 16.914 -5.157 -0.705 1.00 0.00 C ATOM 1404 O GLU A 88 17.226 -4.302 0.124 1.00 0.00 O ATOM 1405 CB GLU A 88 17.247 -7.522 0.080 1.00 0.00 C ATOM 1406 CG GLU A 88 15.817 -7.965 -0.179 1.00 0.00 C ATOM 1407 CD GLU A 88 15.567 -8.362 -1.621 1.00 0.00 C ATOM 1408 OE1 GLU A 88 15.345 -7.462 -2.459 1.00 0.00 O ATOM 1409 OE2 GLU A 88 15.565 -9.572 -1.914 1.00 0.00 O ATOM 0 H GLU A 88 19.314 -5.527 0.163 1.00 0.00 H new ATOM 0 HA GLU A 88 17.601 -6.782 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.908 -8.384 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.328 -7.165 1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.582 -8.809 0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.138 -7.156 0.091 1.00 0.00 H new ATOM 1416 N HIS A 89 15.885 -5.025 -1.516 1.00 0.00 N ATOM 1417 CA HIS A 89 15.055 -3.841 -1.496 1.00 0.00 C ATOM 1418 C HIS A 89 14.072 -3.907 -0.342 1.00 0.00 C ATOM 1419 O HIS A 89 13.357 -4.896 -0.182 1.00 0.00 O ATOM 1420 CB HIS A 89 14.324 -3.662 -2.824 1.00 0.00 C ATOM 1421 CG HIS A 89 15.237 -3.428 -3.993 1.00 0.00 C ATOM 1422 ND1 HIS A 89 15.412 -2.192 -4.589 1.00 0.00 N ATOM 1423 CD2 HIS A 89 16.008 -4.291 -4.694 1.00 0.00 C ATOM 1424 CE1 HIS A 89 16.249 -2.315 -5.607 1.00 0.00 C ATOM 1425 NE2 HIS A 89 16.621 -3.576 -5.689 1.00 0.00 N ATOM 0 H HIS A 89 15.603 -5.727 -2.200 1.00 0.00 H new ATOM 0 HA HIS A 89 15.699 -2.973 -1.352 1.00 0.00 H new ATOM 0 HB2 HIS A 89 13.721 -4.549 -3.018 1.00 0.00 H new ATOM 0 HB3 HIS A 89 13.636 -2.821 -2.739 1.00 0.00 H new ATOM 0 HD1 HIS A 89 14.967 -1.324 -4.291 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.120 -5.348 -4.504 1.00 0.00 H new ATOM 0 HE1 HIS A 89 16.572 -1.517 -6.259 1.00 0.00 H new ATOM 1434 N TYR A 90 14.052 -2.857 0.464 1.00 0.00 N ATOM 1435 CA TYR A 90 13.252 -2.846 1.674 1.00 0.00 C ATOM 1436 C TYR A 90 12.073 -1.893 1.545 1.00 0.00 C ATOM 1437 O TYR A 90 12.194 -0.803 0.985 1.00 0.00 O ATOM 1438 CB TYR A 90 14.111 -2.452 2.884 1.00 0.00 C ATOM 1439 CG TYR A 90 14.487 -0.982 2.935 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.395 -0.434 2.037 1.00 0.00 C ATOM 1441 CD2 TYR A 90 13.929 -0.144 3.893 1.00 0.00 C ATOM 1442 CE1 TYR A 90 15.734 0.906 2.091 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.262 1.195 3.952 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.165 1.714 3.051 1.00 0.00 C ATOM 1445 OH TYR A 90 15.499 3.046 3.112 1.00 0.00 O ATOM 0 H TYR A 90 14.582 -2.001 0.300 1.00 0.00 H new ATOM 0 HA TYR A 90 12.865 -3.854 1.825 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.572 -2.708 3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 90 15.024 -3.048 2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.844 -1.065 1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.223 -0.547 4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.441 1.316 1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.816 1.832 4.701 1.00 0.00 H new ATOM 0 HH TYR A 90 15.008 3.473 3.845 1.00 0.00 H new ATOM 1455 N GLY A 91 10.936 -2.332 2.046 1.00 0.00 N ATOM 1456 CA GLY A 91 9.774 -1.484 2.129 1.00 0.00 C ATOM 1457 C GLY A 91 9.207 -1.486 3.527 1.00 0.00 C ATOM 1458 O GLY A 91 9.740 -2.157 4.412 1.00 0.00 O ATOM 0 H GLY A 91 10.796 -3.277 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.039 -0.467 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.017 -1.827 1.424 1.00 0.00 H new ATOM 1462 N ILE A 92 8.133 -0.748 3.740 1.00 0.00 N ATOM 1463 CA ILE A 92 7.527 -0.673 5.056 1.00 0.00 C ATOM 1464 C ILE A 92 6.142 -1.320 5.042 1.00 0.00 C ATOM 1465 O ILE A 92 5.220 -0.824 4.386 1.00 0.00 O ATOM 1466 CB ILE A 92 7.426 0.786 5.544 1.00 0.00 C ATOM 1467 CG1 ILE A 92 8.750 1.516 5.288 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.075 0.823 7.029 1.00 0.00 C ATOM 1469 CD1 ILE A 92 8.762 2.945 5.770 1.00 0.00 C ATOM 0 H ILE A 92 7.665 -0.195 3.023 1.00 0.00 H new ATOM 0 HA ILE A 92 8.167 -1.218 5.749 1.00 0.00 H new ATOM 0 HB ILE A 92 6.635 1.291 4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.556 0.970 5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 92 8.961 1.502 4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.007 1.859 7.361 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.118 0.327 7.189 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.850 0.310 7.599 1.00 0.00 H new ATOM 0 HD11 ILE A 92 9.731 3.394 5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 92 7.980 3.507 5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.584 2.968 6.845 1.00 0.00 H new ATOM 1481 N PRO A 93 5.990 -2.447 5.757 1.00 0.00 N ATOM 1482 CA PRO A 93 4.742 -3.224 5.786 1.00 0.00 C ATOM 1483 C PRO A 93 3.622 -2.541 6.570 1.00 0.00 C ATOM 1484 O PRO A 93 3.853 -1.940 7.621 1.00 0.00 O ATOM 1485 CB PRO A 93 5.152 -4.526 6.476 1.00 0.00 C ATOM 1486 CG PRO A 93 6.319 -4.158 7.324 1.00 0.00 C ATOM 1487 CD PRO A 93 7.039 -3.057 6.595 1.00 0.00 C ATOM 0 HA PRO A 93 4.335 -3.356 4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.337 -4.928 7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.418 -5.292 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.994 -3.824 8.309 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.974 -5.016 7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.469 -2.333 7.287 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.858 -3.446 5.991 1.00 0.00 H new ATOM 1495 N HIS A 94 2.405 -2.632 6.047 1.00 0.00 N ATOM 1496 CA HIS A 94 1.228 -2.080 6.712 1.00 0.00 C ATOM 1497 C HIS A 94 0.026 -2.980 6.473 1.00 0.00 C ATOM 1498 O HIS A 94 0.075 -3.889 5.638 1.00 0.00 O ATOM 1499 CB HIS A 94 0.895 -0.674 6.195 1.00 0.00 C ATOM 1500 CG HIS A 94 1.957 0.351 6.434 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.041 0.495 5.605 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.093 1.290 7.400 1.00 0.00 C ATOM 1503 CE1 HIS A 94 3.803 1.472 6.046 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.251 1.980 7.137 1.00 0.00 N ATOM 0 H HIS A 94 2.205 -3.087 5.156 1.00 0.00 H new ATOM 0 HA HIS A 94 1.454 -2.020 7.777 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.701 -0.733 5.124 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.028 -0.338 6.668 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.227 -0.068 4.775 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.417 1.464 8.224 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.726 1.805 5.594 1.00 0.00 H new ATOM 1513 N GLY A 95 -1.054 -2.689 7.177 1.00 0.00 N ATOM 1514 CA GLY A 95 -2.298 -3.407 7.002 1.00 0.00 C ATOM 1515 C GLY A 95 -3.380 -2.814 7.875 1.00 0.00 C ATOM 1516 O GLY A 95 -3.076 -2.151 8.870 1.00 0.00 O ATOM 0 H GLY A 95 -1.091 -1.952 7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.604 -3.367 5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.156 -4.458 7.253 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.635 -3.045 7.518 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.751 -2.403 8.203 1.00 0.00 C ATOM 1522 C PHE A 96 -6.913 -3.368 8.361 1.00 0.00 C ATOM 1523 O PHE A 96 -7.033 -4.325 7.605 1.00 0.00 O ATOM 1524 CB PHE A 96 -6.207 -1.163 7.429 1.00 0.00 C ATOM 1525 CG PHE A 96 -5.123 -0.144 7.253 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.824 0.749 8.265 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.390 -0.092 6.080 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.815 1.678 8.110 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.379 0.832 5.920 1.00 0.00 C ATOM 1530 CZ PHE A 96 -3.092 1.718 6.935 1.00 0.00 C ATOM 0 H PHE A 96 -4.907 -3.671 6.760 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.412 -2.101 9.194 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.572 -1.469 6.448 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.046 -0.704 7.952 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.386 0.719 9.187 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.613 -0.783 5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.592 2.372 8.907 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.813 0.861 5.001 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.302 2.444 6.811 1.00 0.00 H new ATOM 1540 N SER A 97 -7.746 -3.120 9.356 1.00 0.00 N ATOM 1541 CA SER A 97 -8.893 -3.966 9.631 1.00 0.00 C ATOM 1542 C SER A 97 -10.114 -3.565 8.797 1.00 0.00 C ATOM 1543 O SER A 97 -11.023 -4.369 8.588 1.00 0.00 O ATOM 1544 CB SER A 97 -9.215 -3.898 11.121 1.00 0.00 C ATOM 1545 OG SER A 97 -9.090 -2.569 11.597 1.00 0.00 O ATOM 0 H SER A 97 -7.647 -2.330 9.994 1.00 0.00 H new ATOM 0 HA SER A 97 -8.642 -4.989 9.352 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.228 -4.259 11.297 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.542 -4.553 11.674 1.00 0.00 H new ATOM 0 HG SER A 97 -9.302 -2.543 12.554 1.00 0.00 H new ATOM 1551 N SER A 98 -10.134 -2.323 8.327 1.00 0.00 N ATOM 1552 CA SER A 98 -11.267 -1.817 7.564 1.00 0.00 C ATOM 1553 C SER A 98 -10.795 -1.123 6.290 1.00 0.00 C ATOM 1554 O SER A 98 -9.741 -0.478 6.283 1.00 0.00 O ATOM 1555 CB SER A 98 -12.081 -0.839 8.420 1.00 0.00 C ATOM 1556 OG SER A 98 -12.496 -1.439 9.639 1.00 0.00 O ATOM 0 H SER A 98 -9.380 -1.650 8.461 1.00 0.00 H new ATOM 0 HA SER A 98 -11.897 -2.661 7.284 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.481 0.046 8.634 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.955 -0.504 7.861 1.00 0.00 H new ATOM 0 HG SER A 98 -13.011 -0.791 10.164 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.573 -1.263 5.219 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.245 -0.650 3.933 1.00 0.00 C ATOM 1564 C ARG A 99 -11.163 0.863 4.050 1.00 0.00 C ATOM 1565 O ARG A 99 -10.166 1.470 3.664 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.280 -1.021 2.866 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.285 -2.491 2.489 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.246 -2.773 1.345 1.00 0.00 C ATOM 1569 NE ARG A 99 -13.227 -4.182 0.964 1.00 0.00 N ATOM 1570 CZ ARG A 99 -13.704 -4.665 -0.179 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -14.255 -3.856 -1.077 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -13.620 -5.965 -0.424 1.00 0.00 N ATOM 0 H ARG A 99 -12.441 -1.799 5.217 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.270 -1.035 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.271 -0.747 3.226 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.091 -0.428 1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.279 -2.797 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.566 -3.089 3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -14.256 -2.488 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.979 -2.159 0.485 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.818 -4.844 1.623 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.315 -2.855 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.618 -4.236 -1.951 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.192 -6.587 0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.984 -6.344 -1.299 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.218 1.472 4.578 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.265 2.922 4.722 1.00 0.00 C ATOM 1588 C ILE A 100 -11.144 3.438 5.629 1.00 0.00 C ATOM 1589 O ILE A 100 -10.684 4.569 5.478 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.626 3.411 5.251 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -13.657 4.941 5.243 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.891 2.864 6.647 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -14.972 5.523 5.678 1.00 0.00 C ATOM 0 H ILE A 100 -13.050 0.986 4.913 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.122 3.329 3.721 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.417 3.040 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.870 5.314 5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.429 5.295 4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.858 3.222 7.001 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.897 1.774 6.616 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.108 3.203 7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.917 6.611 5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.761 5.180 5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -15.194 5.201 6.695 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.700 2.607 6.564 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.588 2.982 7.423 1.00 0.00 C ATOM 1607 C ALA A 101 -8.343 3.176 6.571 1.00 0.00 C ATOM 1608 O ALA A 101 -7.628 4.169 6.704 1.00 0.00 O ATOM 1609 CB ALA A 101 -9.354 1.934 8.503 1.00 0.00 C ATOM 0 H ALA A 101 -11.088 1.681 6.744 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.825 3.918 7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.517 2.239 9.131 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -10.250 1.836 9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.127 0.975 8.037 1.00 0.00 H new ATOM 1615 N LEU A 102 -8.120 2.227 5.667 1.00 0.00 N ATOM 1616 CA LEU A 102 -7.064 2.337 4.669 1.00 0.00 C ATOM 1617 C LEU A 102 -7.273 3.597 3.837 1.00 0.00 C ATOM 1618 O LEU A 102 -6.338 4.357 3.603 1.00 0.00 O ATOM 1619 CB LEU A 102 -7.074 1.094 3.768 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.204 1.169 2.509 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.731 1.255 2.868 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.465 -0.032 1.616 1.00 0.00 C ATOM 0 H LEU A 102 -8.663 1.366 5.606 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.097 2.402 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.749 0.238 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.102 0.899 3.464 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.471 2.075 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.137 1.307 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.554 2.148 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.443 0.372 3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.840 0.034 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.228 -0.947 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.515 -0.046 1.323 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.519 3.811 3.425 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.901 4.975 2.629 1.00 0.00 C ATOM 1636 C GLU A 103 -8.438 6.275 3.281 1.00 0.00 C ATOM 1637 O GLU A 103 -7.717 7.067 2.671 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.424 5.013 2.464 1.00 0.00 C ATOM 1639 CG GLU A 103 -10.914 6.095 1.520 1.00 0.00 C ATOM 1640 CD GLU A 103 -12.417 6.082 1.369 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -12.924 5.336 0.505 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -13.102 6.824 2.096 1.00 0.00 O ATOM 0 H GLU A 103 -9.294 3.182 3.634 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.418 4.885 1.656 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.764 4.044 2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.882 5.163 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.596 7.070 1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.451 5.959 0.543 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.857 6.485 4.523 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.562 7.722 5.235 1.00 0.00 C ATOM 1651 C ARG A 104 -7.063 7.880 5.467 1.00 0.00 C ATOM 1652 O ARG A 104 -6.526 8.980 5.359 1.00 0.00 O ATOM 1653 CB ARG A 104 -9.304 7.763 6.573 1.00 0.00 C ATOM 1654 CG ARG A 104 -10.805 7.550 6.448 1.00 0.00 C ATOM 1655 CD ARG A 104 -11.521 7.841 7.757 1.00 0.00 C ATOM 1656 NE ARG A 104 -11.618 9.275 8.025 1.00 0.00 N ATOM 1657 CZ ARG A 104 -11.628 9.809 9.246 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -11.426 9.042 10.314 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -11.820 11.115 9.396 1.00 0.00 N ATOM 0 H ARG A 104 -9.404 5.812 5.059 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.903 8.551 4.615 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.891 6.998 7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.121 8.726 7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.201 8.196 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.003 6.522 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.522 7.410 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.990 7.355 8.576 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.682 9.907 7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.263 8.042 10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.434 9.454 11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.959 11.707 8.577 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.828 11.525 10.330 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.383 6.783 5.768 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.950 6.831 6.000 1.00 0.00 C ATOM 1675 C TYR A 105 -4.190 7.099 4.702 1.00 0.00 C ATOM 1676 O TYR A 105 -3.195 7.822 4.703 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.472 5.544 6.664 1.00 0.00 C ATOM 1678 CG TYR A 105 -4.801 5.479 8.143 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -4.462 6.525 8.991 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -5.434 4.373 8.691 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -4.748 6.472 10.342 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -5.728 4.312 10.039 1.00 0.00 C ATOM 1683 CZ TYR A 105 -5.380 5.364 10.861 1.00 0.00 C ATOM 1684 OH TYR A 105 -5.659 5.301 12.206 1.00 0.00 O ATOM 0 H TYR A 105 -6.799 5.856 5.856 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.743 7.659 6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.926 4.691 6.159 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.394 5.454 6.534 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.966 7.395 8.588 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -5.702 3.545 8.052 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -4.477 7.295 10.987 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -6.227 3.446 10.447 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.108 4.453 12.408 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.656 6.519 3.598 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.109 6.839 2.279 1.00 0.00 C ATOM 1696 C LEU A 106 -4.302 8.319 1.978 1.00 0.00 C ATOM 1697 O LEU A 106 -3.464 8.958 1.354 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.782 6.010 1.179 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.500 4.509 1.210 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.267 3.810 0.100 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.010 4.240 1.076 1.00 0.00 C ATOM 0 H LEU A 106 -5.407 5.829 3.589 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.046 6.598 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.860 6.159 1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.466 6.400 0.212 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.833 4.114 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.059 2.741 0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.336 3.976 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.958 4.212 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.831 3.165 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.650 4.646 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.479 4.715 1.901 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.422 8.845 2.439 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.795 10.237 2.211 1.00 0.00 C ATOM 1715 C ASN A 107 -4.965 11.165 3.078 1.00 0.00 C ATOM 1716 O ASN A 107 -4.660 12.293 2.702 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.269 10.406 2.553 1.00 0.00 C ATOM 1718 CG ASN A 107 -7.916 11.590 1.873 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -7.513 12.004 0.785 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.937 12.131 2.509 1.00 0.00 N ATOM 0 H ASN A 107 -6.105 8.320 2.985 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.614 10.491 1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.805 9.499 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.373 10.516 3.632 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.428 12.926 2.101 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.235 11.754 3.409 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.638 10.687 4.257 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.779 11.436 5.152 1.00 0.00 C ATOM 1729 C GLY A 108 -2.323 11.390 4.730 1.00 0.00 C ATOM 1730 O GLY A 108 -1.649 12.415 4.687 1.00 0.00 O ATOM 0 H GLY A 108 -4.951 9.787 4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -4.112 12.473 5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.875 11.037 6.162 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.842 10.197 4.403 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.439 10.004 4.060 1.00 0.00 C ATOM 1736 C LEU A 109 -0.149 10.419 2.618 1.00 0.00 C ATOM 1737 O LEU A 109 0.757 11.207 2.359 1.00 0.00 O ATOM 1738 CB LEU A 109 -0.051 8.539 4.275 1.00 0.00 C ATOM 1739 CG LEU A 109 1.418 8.204 4.014 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.316 8.970 4.972 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.649 6.706 4.144 1.00 0.00 C ATOM 0 H LEU A 109 -2.405 9.347 4.368 1.00 0.00 H new ATOM 0 HA LEU A 109 0.159 10.640 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.292 8.264 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.668 7.918 3.626 1.00 0.00 H new ATOM 0 HG LEU A 109 1.668 8.504 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.358 8.720 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.167 10.041 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.068 8.699 5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.699 6.482 3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.384 6.383 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.030 6.178 3.419 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.926 9.888 1.683 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.715 10.167 0.266 1.00 0.00 C ATOM 1755 C PHE A 110 -1.604 11.312 -0.200 1.00 0.00 C ATOM 1756 O PHE A 110 -1.670 11.616 -1.393 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.978 8.918 -0.580 1.00 0.00 C ATOM 1758 CG PHE A 110 -0.024 7.793 -0.302 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.226 7.772 -0.895 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.376 6.758 0.548 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.112 6.742 -0.643 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.503 5.725 0.804 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.749 5.717 0.207 1.00 0.00 C ATOM 0 H PHE A 110 -1.707 9.262 1.878 1.00 0.00 H new ATOM 0 HA PHE A 110 0.326 10.462 0.136 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.996 8.574 -0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.916 9.184 -1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.513 8.571 -1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.349 6.759 1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.086 6.739 -1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.217 4.924 1.470 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.438 4.909 0.405 1.00 0.00 H new ATOM 1773 N GLY A 111 -2.285 11.939 0.750 1.00 0.00 N ATOM 1774 CA GLY A 111 -3.069 13.121 0.454 1.00 0.00 C ATOM 1775 C GLY A 111 -2.208 14.355 0.264 1.00 0.00 C ATOM 1776 O GLY A 111 -2.727 15.456 0.081 1.00 0.00 O ATOM 0 H GLY A 111 -2.308 11.647 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.655 12.948 -0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.776 13.296 1.264 1.00 0.00 H new ATOM 1780 N ASP A 112 -0.893 14.181 0.339 1.00 0.00 N ATOM 1781 CA ASP A 112 0.028 15.225 -0.006 1.00 0.00 C ATOM 1782 C ASP A 112 0.399 15.042 -1.459 1.00 0.00 C ATOM 1783 O ASP A 112 -0.463 14.786 -2.297 1.00 0.00 O ATOM 1784 CB ASP A 112 1.262 15.205 0.918 1.00 0.00 C ATOM 1785 CG ASP A 112 0.935 15.593 2.348 1.00 0.00 C ATOM 1786 OD1 ASP A 112 0.888 16.807 2.640 1.00 0.00 O ATOM 1787 OD2 ASP A 112 0.759 14.695 3.193 1.00 0.00 O ATOM 0 H ASP A 112 -0.451 13.313 0.640 1.00 0.00 H new ATOM 0 HA ASP A 112 -0.431 16.204 0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 112 1.700 14.207 0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 112 2.015 15.888 0.525 1.00 0.00 H new TER 1792 ASP A 112