USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 665 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 33 CYS SG : rot 180:sc= -0.134 USER MOD Set 1.2: A 38 MET CE :methyl -116:sc= -0.383 (180deg=-0.159) USER MOD Set 1.3: A 46 GLN : amide:sc= -0.0586 X(o=-0.58,f=-0.69) USER MOD Single : A 16 SER OG : rot 14:sc= 0.642 USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= -1.59 (180deg=-2.05) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -160:sc= -0.0234 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 78:sc= -0.103 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.628 F(o=-1.1,f=-0.63) USER MOD Single : A 49 THR OG1 : rot 76:sc= 0.383 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00452) USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= 0.128 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.4 K(o=-1.4,f=-7.6!) USER MOD Single : A 61 TYR OH : rot 156:sc= -1.61! USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.0505 F(o=-1.7,f=-0.051) USER MOD Single : A 70 HIS : +bothHN:sc= -1.88 K(o=-1.9,f=-5.3!) USER MOD Single : A 83 CYS SG : rot -35:sc= 0.0169 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -13.887 12.198 4.072 1.00 0.00 N ATOM 2 CA SER A 16 -13.616 11.093 3.158 1.00 0.00 C ATOM 3 C SER A 16 -12.239 10.481 3.414 1.00 0.00 C ATOM 4 O SER A 16 -11.805 9.594 2.681 1.00 0.00 O ATOM 5 CB SER A 16 -13.709 11.572 1.707 1.00 0.00 C ATOM 6 OG SER A 16 -14.571 12.692 1.594 1.00 0.00 O ATOM 0 HA SER A 16 -14.368 10.324 3.335 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.716 11.835 1.343 1.00 0.00 H new ATOM 0 HB3 SER A 16 -14.075 10.762 1.076 1.00 0.00 H new ATOM 0 HG SER A 16 -14.756 13.054 2.486 1.00 0.00 H new ATOM 12 N GLU A 17 -11.558 10.960 4.457 1.00 0.00 N ATOM 13 CA GLU A 17 -10.230 10.463 4.813 1.00 0.00 C ATOM 14 C GLU A 17 -9.339 10.308 3.578 1.00 0.00 C ATOM 15 O GLU A 17 -9.648 10.835 2.509 1.00 0.00 O ATOM 16 CB GLU A 17 -10.347 9.132 5.579 1.00 0.00 C ATOM 17 CG GLU A 17 -10.294 7.886 4.702 1.00 0.00 C ATOM 18 CD GLU A 17 -11.306 6.837 5.119 1.00 0.00 C ATOM 19 OE1 GLU A 17 -12.488 7.195 5.308 1.00 0.00 O ATOM 20 OE2 GLU A 17 -10.918 5.658 5.258 1.00 0.00 O ATOM 0 H GLU A 17 -11.908 11.695 5.072 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.757 11.199 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.542 9.078 6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.285 9.129 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.475 8.168 3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.293 7.457 4.746 1.00 0.00 H new ATOM 27 N PHE A 18 -8.233 9.587 3.737 1.00 0.00 N ATOM 28 CA PHE A 18 -7.300 9.368 2.640 1.00 0.00 C ATOM 29 C PHE A 18 -7.328 7.914 2.177 1.00 0.00 C ATOM 30 O PHE A 18 -7.858 7.043 2.867 1.00 0.00 O ATOM 31 CB PHE A 18 -5.883 9.748 3.068 1.00 0.00 C ATOM 32 CG PHE A 18 -5.114 10.488 2.011 1.00 0.00 C ATOM 33 CD1 PHE A 18 -5.508 11.754 1.608 1.00 0.00 C ATOM 34 CD2 PHE A 18 -3.999 9.916 1.420 1.00 0.00 C ATOM 35 CE1 PHE A 18 -4.804 12.435 0.636 1.00 0.00 C ATOM 36 CE2 PHE A 18 -3.292 10.593 0.446 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.695 11.855 0.054 1.00 0.00 C ATOM 0 H PHE A 18 -7.962 9.145 4.616 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.606 10.000 1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.936 10.365 3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.338 8.843 3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.375 12.213 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.679 8.930 1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.121 13.421 0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.425 10.137 -0.009 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.143 12.387 -0.707 1.00 0.00 H new ATOM 47 N LYS A 19 -6.753 7.660 1.006 1.00 0.00 N ATOM 48 CA LYS A 19 -6.710 6.312 0.453 1.00 0.00 C ATOM 49 C LYS A 19 -5.727 6.229 -0.712 1.00 0.00 C ATOM 50 O LYS A 19 -5.871 6.930 -1.714 1.00 0.00 O ATOM 51 CB LYS A 19 -8.107 5.885 -0.010 1.00 0.00 C ATOM 52 CG LYS A 19 -8.616 4.625 0.673 1.00 0.00 C ATOM 53 CD LYS A 19 -8.507 3.410 -0.235 1.00 0.00 C ATOM 54 CE LYS A 19 -7.542 2.378 0.326 1.00 0.00 C ATOM 55 NZ LYS A 19 -8.240 1.363 1.164 1.00 0.00 N ATOM 0 H LYS A 19 -6.311 8.370 0.422 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.370 5.635 1.237 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.808 6.699 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.090 5.722 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.046 4.450 1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.656 4.766 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.491 2.959 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.172 3.723 -1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.027 1.879 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.780 2.880 0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.545 0.861 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.934 1.837 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.729 0.682 0.549 1.00 0.00 H new ATOM 69 N VAL A 20 -4.730 5.363 -0.575 1.00 0.00 N ATOM 70 CA VAL A 20 -3.728 5.185 -1.616 1.00 0.00 C ATOM 71 C VAL A 20 -3.409 3.709 -1.824 1.00 0.00 C ATOM 72 O VAL A 20 -3.357 2.934 -0.869 1.00 0.00 O ATOM 73 CB VAL A 20 -2.428 5.939 -1.286 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.620 7.438 -1.463 1.00 0.00 C ATOM 75 CG2 VAL A 20 -1.964 5.617 0.126 1.00 0.00 C ATOM 0 H VAL A 20 -4.595 4.774 0.247 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.151 5.596 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.655 5.610 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.690 7.955 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.899 7.650 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.409 7.785 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.043 6.160 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.734 5.914 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.782 4.546 0.214 1.00 0.00 H new ATOM 85 N THR A 21 -3.203 3.327 -3.078 1.00 0.00 N ATOM 86 CA THR A 21 -2.895 1.943 -3.416 1.00 0.00 C ATOM 87 C THR A 21 -1.420 1.786 -3.772 1.00 0.00 C ATOM 88 O THR A 21 -0.930 2.407 -4.714 1.00 0.00 O ATOM 89 CB THR A 21 -3.765 1.473 -4.581 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.107 1.890 -4.404 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.770 -0.029 -4.756 1.00 0.00 C ATOM 0 H THR A 21 -3.244 3.957 -3.879 1.00 0.00 H new ATOM 0 HA THR A 21 -3.108 1.327 -2.543 1.00 0.00 H new ATOM 0 HB THR A 21 -3.325 1.924 -5.471 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.648 1.581 -5.161 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.407 -0.295 -5.600 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.754 -0.377 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.153 -0.500 -3.850 1.00 0.00 H new ATOM 99 N VAL A 22 -0.721 0.951 -3.015 1.00 0.00 N ATOM 100 CA VAL A 22 0.696 0.710 -3.248 1.00 0.00 C ATOM 101 C VAL A 22 0.909 -0.612 -3.976 1.00 0.00 C ATOM 102 O VAL A 22 0.671 -1.684 -3.421 1.00 0.00 O ATOM 103 CB VAL A 22 1.489 0.693 -1.929 1.00 0.00 C ATOM 104 CG1 VAL A 22 2.984 0.681 -2.204 1.00 0.00 C ATOM 105 CG2 VAL A 22 1.110 1.884 -1.061 1.00 0.00 C ATOM 0 H VAL A 22 -1.114 0.428 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 22 1.061 1.529 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 22 1.235 -0.218 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.528 0.669 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.241 -0.207 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.257 1.572 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.681 1.854 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.332 2.808 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.045 1.844 -0.833 1.00 0.00 H new ATOM 115 N CYS A 23 1.357 -0.528 -5.224 1.00 0.00 N ATOM 116 CA CYS A 23 1.599 -1.720 -6.027 1.00 0.00 C ATOM 117 C CYS A 23 3.044 -2.186 -5.891 1.00 0.00 C ATOM 118 O CYS A 23 3.950 -1.625 -6.508 1.00 0.00 O ATOM 119 CB CYS A 23 1.276 -1.444 -7.497 1.00 0.00 C ATOM 120 SG CYS A 23 -0.415 -1.870 -7.975 1.00 0.00 S ATOM 0 H CYS A 23 1.559 0.351 -5.700 1.00 0.00 H new ATOM 0 HA CYS A 23 0.946 -2.512 -5.660 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.445 -0.387 -7.702 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.971 -2.005 -8.122 1.00 0.00 H new ATOM 0 HG CYS A 23 -0.592 -1.599 -9.234 1.00 0.00 H new ATOM 126 N PHE A 24 3.253 -3.219 -5.083 1.00 0.00 N ATOM 127 CA PHE A 24 4.586 -3.764 -4.868 1.00 0.00 C ATOM 128 C PHE A 24 4.933 -4.781 -5.949 1.00 0.00 C ATOM 129 O PHE A 24 4.390 -5.884 -5.971 1.00 0.00 O ATOM 130 CB PHE A 24 4.678 -4.417 -3.488 1.00 0.00 C ATOM 131 CG PHE A 24 4.639 -3.430 -2.359 1.00 0.00 C ATOM 132 CD1 PHE A 24 3.435 -2.890 -1.938 1.00 0.00 C ATOM 133 CD2 PHE A 24 5.805 -3.040 -1.720 1.00 0.00 C ATOM 134 CE1 PHE A 24 3.394 -1.980 -0.901 1.00 0.00 C ATOM 135 CE2 PHE A 24 5.771 -2.128 -0.682 1.00 0.00 C ATOM 136 CZ PHE A 24 4.563 -1.598 -0.273 1.00 0.00 C ATOM 0 H PHE A 24 2.514 -3.696 -4.566 1.00 0.00 H new ATOM 0 HA PHE A 24 5.302 -2.943 -4.920 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.855 -5.123 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.602 -4.992 -3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.518 -3.184 -2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.751 -3.453 -2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.449 -1.567 -0.581 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.686 -1.831 -0.192 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.533 -0.885 0.538 1.00 0.00 H new ATOM 146 N GLY A 25 5.837 -4.400 -6.846 1.00 0.00 N ATOM 147 CA GLY A 25 6.237 -5.291 -7.921 1.00 0.00 C ATOM 148 C GLY A 25 5.059 -5.749 -8.760 1.00 0.00 C ATOM 149 O GLY A 25 4.729 -5.130 -9.771 1.00 0.00 O ATOM 0 H GLY A 25 6.300 -3.491 -6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.960 -4.784 -8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.740 -6.161 -7.500 1.00 0.00 H new ATOM 153 N ARG A 26 4.421 -6.836 -8.333 1.00 0.00 N ATOM 154 CA ARG A 26 3.271 -7.376 -9.047 1.00 0.00 C ATOM 155 C ARG A 26 2.121 -7.656 -8.084 1.00 0.00 C ATOM 156 O ARG A 26 1.335 -8.580 -8.291 1.00 0.00 O ATOM 157 CB ARG A 26 3.657 -8.659 -9.785 1.00 0.00 C ATOM 158 CG ARG A 26 2.958 -8.823 -11.125 1.00 0.00 C ATOM 159 CD ARG A 26 2.752 -10.289 -11.470 1.00 0.00 C ATOM 160 NE ARG A 26 2.272 -10.467 -12.838 1.00 0.00 N ATOM 161 CZ ARG A 26 1.872 -11.635 -13.336 1.00 0.00 C ATOM 162 NH1 ARG A 26 1.892 -12.728 -12.584 1.00 0.00 N ATOM 163 NH2 ARG A 26 1.450 -11.710 -14.591 1.00 0.00 N ATOM 0 H ARG A 26 4.682 -7.359 -7.497 1.00 0.00 H new ATOM 0 HA ARG A 26 2.943 -6.633 -9.775 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.735 -8.667 -9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.421 -9.516 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.994 -8.315 -11.098 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.549 -8.344 -11.906 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.691 -10.827 -11.343 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.036 -10.728 -10.775 1.00 0.00 H new ATOM 0 HE ARG A 26 2.242 -9.649 -13.447 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.215 -12.677 -11.618 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.584 -13.620 -12.972 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.432 -10.873 -15.174 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.143 -12.605 -14.973 1.00 0.00 H new ATOM 177 N THR A 27 2.031 -6.851 -7.030 1.00 0.00 N ATOM 178 CA THR A 27 0.979 -7.009 -6.032 1.00 0.00 C ATOM 179 C THR A 27 0.409 -5.654 -5.622 1.00 0.00 C ATOM 180 O THR A 27 1.153 -4.697 -5.408 1.00 0.00 O ATOM 181 CB THR A 27 1.520 -7.740 -4.803 1.00 0.00 C ATOM 182 OG1 THR A 27 2.316 -8.846 -5.187 1.00 0.00 O ATOM 183 CG2 THR A 27 0.432 -8.254 -3.885 1.00 0.00 C ATOM 0 H THR A 27 2.675 -6.082 -6.845 1.00 0.00 H new ATOM 0 HA THR A 27 0.178 -7.601 -6.475 1.00 0.00 H new ATOM 0 HB THR A 27 2.109 -6.999 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.389 -9.473 -4.437 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.884 -8.762 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.170 -7.417 -3.530 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.203 -8.953 -4.429 1.00 0.00 H new ATOM 191 N ARG A 28 -0.914 -5.581 -5.517 1.00 0.00 N ATOM 192 CA ARG A 28 -1.585 -4.343 -5.135 1.00 0.00 C ATOM 193 C ARG A 28 -1.993 -4.376 -3.664 1.00 0.00 C ATOM 194 O ARG A 28 -2.488 -5.388 -3.169 1.00 0.00 O ATOM 195 CB ARG A 28 -2.818 -4.119 -6.016 1.00 0.00 C ATOM 196 CG ARG A 28 -3.614 -2.874 -5.650 1.00 0.00 C ATOM 197 CD ARG A 28 -5.090 -3.190 -5.467 1.00 0.00 C ATOM 198 NE ARG A 28 -5.732 -3.559 -6.727 1.00 0.00 N ATOM 199 CZ ARG A 28 -6.878 -4.231 -6.808 1.00 0.00 C ATOM 200 NH1 ARG A 28 -7.512 -4.611 -5.705 1.00 0.00 N ATOM 201 NH2 ARG A 28 -7.391 -4.525 -7.994 1.00 0.00 N ATOM 0 H ARG A 28 -1.543 -6.365 -5.691 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.887 -3.518 -5.279 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.501 -4.044 -7.056 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.469 -4.990 -5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.216 -2.444 -4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.496 -2.123 -6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.200 -4.005 -4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.596 -2.323 -5.043 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.274 -3.285 -7.596 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.121 -4.388 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.390 -5.126 -5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.908 -4.236 -8.845 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.269 -5.040 -8.056 1.00 0.00 H new ATOM 215 N VAL A 29 -1.783 -3.261 -2.972 1.00 0.00 N ATOM 216 CA VAL A 29 -2.129 -3.161 -1.559 1.00 0.00 C ATOM 217 C VAL A 29 -2.790 -1.821 -1.247 1.00 0.00 C ATOM 218 O VAL A 29 -2.248 -0.762 -1.564 1.00 0.00 O ATOM 219 CB VAL A 29 -0.885 -3.324 -0.665 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.288 -3.417 0.799 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.083 -4.547 -1.085 1.00 0.00 C ATOM 0 H VAL A 29 -1.375 -2.414 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.831 -3.968 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.253 -2.444 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.396 -3.532 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.815 -2.508 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.941 -4.278 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.792 -4.646 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.704 -5.438 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.238 -4.434 -2.120 1.00 0.00 H new ATOM 231 N ASP A 30 -3.965 -1.877 -0.626 1.00 0.00 N ATOM 232 CA ASP A 30 -4.700 -0.667 -0.272 1.00 0.00 C ATOM 233 C ASP A 30 -4.254 -0.141 1.088 1.00 0.00 C ATOM 234 O ASP A 30 -3.943 -0.915 1.993 1.00 0.00 O ATOM 235 CB ASP A 30 -6.204 -0.946 -0.255 1.00 0.00 C ATOM 236 CG ASP A 30 -6.730 -1.360 -1.615 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.462 -2.507 -2.031 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.410 -0.537 -2.264 1.00 0.00 O ATOM 0 H ASP A 30 -4.428 -2.746 -0.358 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.487 0.092 -1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.417 -1.733 0.469 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.733 -0.054 0.080 1.00 0.00 H new ATOM 243 N VAL A 31 -4.226 1.182 1.227 1.00 0.00 N ATOM 244 CA VAL A 31 -3.818 1.807 2.478 1.00 0.00 C ATOM 245 C VAL A 31 -4.655 3.050 2.773 1.00 0.00 C ATOM 246 O VAL A 31 -4.327 4.150 2.326 1.00 0.00 O ATOM 247 CB VAL A 31 -2.329 2.199 2.452 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.871 2.654 3.829 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.480 1.039 1.956 1.00 0.00 C ATOM 0 H VAL A 31 -4.481 1.839 0.490 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.978 1.070 3.265 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.204 3.032 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.816 2.927 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.458 3.518 4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.010 1.844 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.431 1.335 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.609 0.184 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.791 0.766 0.948 1.00 0.00 H new ATOM 259 N PRO A 32 -5.754 2.892 3.531 1.00 0.00 N ATOM 260 CA PRO A 32 -6.638 4.000 3.883 1.00 0.00 C ATOM 261 C PRO A 32 -6.153 4.766 5.109 1.00 0.00 C ATOM 262 O PRO A 32 -5.977 4.189 6.184 1.00 0.00 O ATOM 263 CB PRO A 32 -7.954 3.292 4.182 1.00 0.00 C ATOM 264 CG PRO A 32 -7.546 1.974 4.749 1.00 0.00 C ATOM 265 CD PRO A 32 -6.228 1.615 4.104 1.00 0.00 C ATOM 0 HA PRO A 32 -6.700 4.749 3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.558 3.859 4.890 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.553 3.168 3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.443 2.034 5.833 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.299 1.213 4.541 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.522 1.217 4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.354 0.854 3.334 1.00 0.00 H new ATOM 273 N CYS A 33 -5.939 6.067 4.944 1.00 0.00 N ATOM 274 CA CYS A 33 -5.477 6.909 6.041 1.00 0.00 C ATOM 275 C CYS A 33 -6.657 7.512 6.794 1.00 0.00 C ATOM 276 O CYS A 33 -7.629 7.958 6.187 1.00 0.00 O ATOM 277 CB CYS A 33 -4.570 8.022 5.512 1.00 0.00 C ATOM 278 SG CYS A 33 -3.247 8.497 6.648 1.00 0.00 S ATOM 0 H CYS A 33 -6.078 6.561 4.062 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.908 6.286 6.731 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.127 7.698 4.570 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.179 8.899 5.293 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.533 9.442 6.112 1.00 0.00 H new ATOM 284 N GLY A 34 -6.565 7.517 8.120 1.00 0.00 N ATOM 285 CA GLY A 34 -7.633 8.064 8.936 1.00 0.00 C ATOM 286 C GLY A 34 -7.935 9.513 8.609 1.00 0.00 C ATOM 287 O GLY A 34 -9.082 9.869 8.338 1.00 0.00 O ATOM 0 H GLY A 34 -5.770 7.152 8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.535 7.468 8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.359 7.983 9.988 1.00 0.00 H new ATOM 291 N ASP A 35 -6.906 10.354 8.638 1.00 0.00 N ATOM 292 CA ASP A 35 -7.072 11.773 8.343 1.00 0.00 C ATOM 293 C ASP A 35 -6.275 12.173 7.105 1.00 0.00 C ATOM 294 O ASP A 35 -6.729 12.983 6.299 1.00 0.00 O ATOM 295 CB ASP A 35 -6.632 12.617 9.542 1.00 0.00 C ATOM 296 CG ASP A 35 -7.764 12.871 10.517 1.00 0.00 C ATOM 297 OD1 ASP A 35 -8.719 13.583 10.144 1.00 0.00 O ATOM 298 OD2 ASP A 35 -7.696 12.357 11.654 1.00 0.00 O ATOM 0 H ASP A 35 -5.950 10.078 8.862 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.128 11.955 8.144 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.817 12.111 10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.241 13.571 9.187 1.00 0.00 H new ATOM 303 N GLY A 36 -5.084 11.601 6.964 1.00 0.00 N ATOM 304 CA GLY A 36 -4.242 11.913 5.824 1.00 0.00 C ATOM 305 C GLY A 36 -3.050 12.774 6.198 1.00 0.00 C ATOM 306 O GLY A 36 -2.429 13.393 5.334 1.00 0.00 O ATOM 0 H GLY A 36 -4.687 10.927 7.619 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.889 10.986 5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.835 12.429 5.069 1.00 0.00 H new ATOM 310 N ARG A 37 -2.729 12.813 7.488 1.00 0.00 N ATOM 311 CA ARG A 37 -1.603 13.603 7.971 1.00 0.00 C ATOM 312 C ARG A 37 -0.419 12.703 8.311 1.00 0.00 C ATOM 313 O ARG A 37 0.352 12.992 9.225 1.00 0.00 O ATOM 314 CB ARG A 37 -2.014 14.417 9.200 1.00 0.00 C ATOM 315 CG ARG A 37 -2.452 15.836 8.872 1.00 0.00 C ATOM 316 CD ARG A 37 -2.144 16.790 10.016 1.00 0.00 C ATOM 317 NE ARG A 37 -2.256 18.189 9.607 1.00 0.00 N ATOM 318 CZ ARG A 37 -3.413 18.836 9.487 1.00 0.00 C ATOM 319 NH1 ARG A 37 -4.558 18.216 9.743 1.00 0.00 N ATOM 320 NH2 ARG A 37 -3.425 20.107 9.109 1.00 0.00 N ATOM 0 H ARG A 37 -3.233 12.307 8.216 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.301 14.288 7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.829 13.903 9.710 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.176 14.456 9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.946 16.175 7.968 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.522 15.849 8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.828 16.598 10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.136 16.600 10.386 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.397 18.699 9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.555 17.238 10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.441 18.717 9.649 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.548 20.588 8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.311 20.603 9.017 1.00 0.00 H new ATOM 334 N MET A 38 -0.284 11.610 7.567 1.00 0.00 N ATOM 335 CA MET A 38 0.803 10.665 7.788 1.00 0.00 C ATOM 336 C MET A 38 1.907 10.856 6.755 1.00 0.00 C ATOM 337 O MET A 38 1.729 11.567 5.766 1.00 0.00 O ATOM 338 CB MET A 38 0.282 9.228 7.724 1.00 0.00 C ATOM 339 CG MET A 38 1.195 8.219 8.399 1.00 0.00 C ATOM 340 SD MET A 38 0.292 6.818 9.086 1.00 0.00 S ATOM 341 CE MET A 38 -0.584 6.237 7.636 1.00 0.00 C ATOM 0 H MET A 38 -0.914 11.357 6.806 1.00 0.00 H new ATOM 0 HA MET A 38 1.215 10.853 8.779 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.701 9.186 8.192 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.150 8.944 6.680 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.926 7.856 7.677 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.751 8.714 9.195 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.657 6.347 7.791 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.280 6.823 6.768 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.348 5.187 7.465 1.00 0.00 H new ATOM 351 N LYS A 39 3.042 10.213 6.990 1.00 0.00 N ATOM 352 CA LYS A 39 4.173 10.305 6.077 1.00 0.00 C ATOM 353 C LYS A 39 4.243 9.075 5.181 1.00 0.00 C ATOM 354 O LYS A 39 3.820 7.983 5.570 1.00 0.00 O ATOM 355 CB LYS A 39 5.478 10.456 6.861 1.00 0.00 C ATOM 356 CG LYS A 39 5.821 11.896 7.206 1.00 0.00 C ATOM 357 CD LYS A 39 7.239 12.019 7.739 1.00 0.00 C ATOM 358 CE LYS A 39 7.521 13.421 8.252 1.00 0.00 C ATOM 359 NZ LYS A 39 8.665 13.445 9.205 1.00 0.00 N ATOM 0 H LYS A 39 3.204 9.622 7.805 1.00 0.00 H new ATOM 0 HA LYS A 39 4.033 11.185 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.407 9.878 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.293 10.027 6.278 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.709 12.520 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.118 12.270 7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.390 11.299 8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.948 11.770 6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.736 14.079 7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.631 13.813 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.825 14.419 9.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.450 12.837 10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.521 13.095 8.729 1.00 0.00 H new ATOM 373 N VAL A 40 4.782 9.251 3.980 1.00 0.00 N ATOM 374 CA VAL A 40 4.907 8.150 3.036 1.00 0.00 C ATOM 375 C VAL A 40 5.561 6.942 3.701 1.00 0.00 C ATOM 376 O VAL A 40 5.081 5.820 3.577 1.00 0.00 O ATOM 377 CB VAL A 40 5.730 8.559 1.797 1.00 0.00 C ATOM 378 CG1 VAL A 40 5.841 7.400 0.816 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.115 9.780 1.125 1.00 0.00 C ATOM 0 H VAL A 40 5.138 10.144 3.639 1.00 0.00 H new ATOM 0 HA VAL A 40 3.900 7.886 2.713 1.00 0.00 H new ATOM 0 HB VAL A 40 6.736 8.821 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.425 7.711 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.333 6.558 1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.844 7.100 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.709 10.053 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.097 9.549 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.098 10.613 1.828 1.00 0.00 H new ATOM 389 N PHE A 41 6.658 7.184 4.412 1.00 0.00 N ATOM 390 CA PHE A 41 7.378 6.116 5.097 1.00 0.00 C ATOM 391 C PHE A 41 6.435 5.258 5.936 1.00 0.00 C ATOM 392 O PHE A 41 6.648 4.055 6.089 1.00 0.00 O ATOM 393 CB PHE A 41 8.473 6.704 5.990 1.00 0.00 C ATOM 394 CG PHE A 41 9.338 5.665 6.645 1.00 0.00 C ATOM 395 CD1 PHE A 41 9.823 4.590 5.917 1.00 0.00 C ATOM 396 CD2 PHE A 41 9.665 5.764 7.988 1.00 0.00 C ATOM 397 CE1 PHE A 41 10.619 3.632 6.517 1.00 0.00 C ATOM 398 CE2 PHE A 41 10.461 4.810 8.593 1.00 0.00 C ATOM 399 CZ PHE A 41 10.938 3.742 7.857 1.00 0.00 C ATOM 0 H PHE A 41 7.068 8.111 4.529 1.00 0.00 H new ATOM 0 HA PHE A 41 7.832 5.481 4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.102 7.364 5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.010 7.318 6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.576 4.500 4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.294 6.596 8.568 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.991 2.799 5.939 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.710 4.899 9.640 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.559 2.995 8.328 1.00 0.00 H new ATOM 409 N SER A 42 5.389 5.878 6.473 1.00 0.00 N ATOM 410 CA SER A 42 4.422 5.158 7.291 1.00 0.00 C ATOM 411 C SER A 42 3.462 4.357 6.417 1.00 0.00 C ATOM 412 O SER A 42 3.066 3.247 6.772 1.00 0.00 O ATOM 413 CB SER A 42 3.639 6.129 8.179 1.00 0.00 C ATOM 414 OG SER A 42 4.072 7.465 7.985 1.00 0.00 O ATOM 0 H SER A 42 5.191 6.872 6.357 1.00 0.00 H new ATOM 0 HA SER A 42 4.970 4.464 7.928 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.575 6.053 7.955 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.765 5.851 9.225 1.00 0.00 H new ATOM 0 HG SER A 42 3.691 7.815 7.153 1.00 0.00 H new ATOM 420 N LEU A 43 3.095 4.920 5.269 1.00 0.00 N ATOM 421 CA LEU A 43 2.183 4.244 4.356 1.00 0.00 C ATOM 422 C LEU A 43 2.881 3.074 3.670 1.00 0.00 C ATOM 423 O LEU A 43 2.281 2.019 3.461 1.00 0.00 O ATOM 424 CB LEU A 43 1.623 5.230 3.321 1.00 0.00 C ATOM 425 CG LEU A 43 2.403 5.330 2.005 1.00 0.00 C ATOM 426 CD1 LEU A 43 1.983 4.222 1.052 1.00 0.00 C ATOM 427 CD2 LEU A 43 2.194 6.695 1.365 1.00 0.00 C ATOM 0 H LEU A 43 3.413 5.836 4.952 1.00 0.00 H new ATOM 0 HA LEU A 43 1.347 3.850 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.597 4.943 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.584 6.220 3.775 1.00 0.00 H new ATOM 0 HG LEU A 43 3.465 5.211 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.547 4.308 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.183 3.253 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.918 4.309 0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.755 6.749 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.134 6.842 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.544 7.473 2.044 1.00 0.00 H new ATOM 439 N ILE A 44 4.149 3.264 3.328 1.00 0.00 N ATOM 440 CA ILE A 44 4.922 2.219 2.679 1.00 0.00 C ATOM 441 C ILE A 44 5.156 1.057 3.633 1.00 0.00 C ATOM 442 O ILE A 44 4.980 -0.103 3.266 1.00 0.00 O ATOM 443 CB ILE A 44 6.279 2.744 2.177 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.075 4.015 1.347 1.00 0.00 C ATOM 445 CG2 ILE A 44 6.989 1.669 1.364 1.00 0.00 C ATOM 446 CD1 ILE A 44 7.263 4.390 0.484 1.00 0.00 C ATOM 0 H ILE A 44 4.661 4.131 3.490 1.00 0.00 H new ATOM 0 HA ILE A 44 4.344 1.878 1.820 1.00 0.00 H new ATOM 0 HB ILE A 44 6.906 2.992 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.203 3.882 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.853 4.843 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.948 2.051 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.155 0.791 1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.373 1.395 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.037 5.300 -0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.134 4.558 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.474 3.582 -0.216 1.00 0.00 H new ATOM 458 N GLN A 45 5.546 1.375 4.862 1.00 0.00 N ATOM 459 CA GLN A 45 5.794 0.354 5.871 1.00 0.00 C ATOM 460 C GLN A 45 4.539 -0.476 6.120 1.00 0.00 C ATOM 461 O GLN A 45 4.609 -1.697 6.259 1.00 0.00 O ATOM 462 CB GLN A 45 6.265 0.998 7.177 1.00 0.00 C ATOM 463 CG GLN A 45 7.777 1.082 7.304 1.00 0.00 C ATOM 464 CD GLN A 45 8.446 -0.276 7.204 1.00 0.00 C ATOM 465 OE1 GLN A 45 8.840 -0.654 5.995 1.00 0.00 O flip ATOM 466 NE2 GLN A 45 8.607 -0.976 8.204 1.00 0.00 N flip ATOM 0 H GLN A 45 5.697 2.331 5.183 1.00 0.00 H new ATOM 0 HA GLN A 45 6.578 -0.306 5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.847 2.002 7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.869 0.427 8.017 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.168 1.734 6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.033 1.540 8.259 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.288 -0.645 9.115 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.059 -1.887 8.122 1.00 0.00 H new ATOM 475 N GLN A 46 3.394 0.195 6.170 1.00 0.00 N ATOM 476 CA GLN A 46 2.124 -0.486 6.396 1.00 0.00 C ATOM 477 C GLN A 46 1.774 -1.381 5.213 1.00 0.00 C ATOM 478 O GLN A 46 1.377 -2.534 5.387 1.00 0.00 O ATOM 479 CB GLN A 46 1.008 0.535 6.628 1.00 0.00 C ATOM 480 CG GLN A 46 1.008 1.128 8.027 1.00 0.00 C ATOM 481 CD GLN A 46 -0.383 1.224 8.621 1.00 0.00 C ATOM 482 OE1 GLN A 46 -0.950 2.311 8.730 1.00 0.00 O ATOM 483 NE2 GLN A 46 -0.941 0.082 9.009 1.00 0.00 N ATOM 0 H GLN A 46 3.318 1.206 6.058 1.00 0.00 H new ATOM 0 HA GLN A 46 2.225 -1.109 7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.107 1.341 5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.046 0.057 6.445 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.635 0.517 8.676 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.455 2.122 7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.434 -0.796 8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.876 0.084 9.416 1.00 0.00 H new ATOM 492 N ALA A 47 1.927 -0.842 4.008 1.00 0.00 N ATOM 493 CA ALA A 47 1.629 -1.589 2.792 1.00 0.00 C ATOM 494 C ALA A 47 2.586 -2.764 2.620 1.00 0.00 C ATOM 495 O ALA A 47 2.180 -3.851 2.204 1.00 0.00 O ATOM 496 CB ALA A 47 1.691 -0.670 1.583 1.00 0.00 C ATOM 0 H ALA A 47 2.256 0.110 3.848 1.00 0.00 H new ATOM 0 HA ALA A 47 0.619 -1.990 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.467 -1.240 0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.961 0.131 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.690 -0.242 1.502 1.00 0.00 H new ATOM 502 N VAL A 48 3.856 -2.544 2.947 1.00 0.00 N ATOM 503 CA VAL A 48 4.866 -3.590 2.830 1.00 0.00 C ATOM 504 C VAL A 48 4.484 -4.802 3.677 1.00 0.00 C ATOM 505 O VAL A 48 4.473 -5.933 3.190 1.00 0.00 O ATOM 506 CB VAL A 48 6.260 -3.081 3.262 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.273 -4.218 3.284 1.00 0.00 C ATOM 508 CG2 VAL A 48 6.727 -1.968 2.336 1.00 0.00 C ATOM 0 H VAL A 48 4.209 -1.652 3.294 1.00 0.00 H new ATOM 0 HA VAL A 48 4.913 -3.880 1.780 1.00 0.00 H new ATOM 0 HB VAL A 48 6.179 -2.683 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.245 -3.833 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.946 -4.983 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.353 -4.653 2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.710 -1.620 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.787 -2.345 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.019 -1.140 2.376 1.00 0.00 H new ATOM 518 N THR A 49 4.163 -4.555 4.942 1.00 0.00 N ATOM 519 CA THR A 49 3.772 -5.626 5.851 1.00 0.00 C ATOM 520 C THR A 49 2.570 -6.387 5.300 1.00 0.00 C ATOM 521 O THR A 49 2.541 -7.618 5.307 1.00 0.00 O ATOM 522 CB THR A 49 3.440 -5.058 7.232 1.00 0.00 C ATOM 523 OG1 THR A 49 4.542 -4.340 7.757 1.00 0.00 O ATOM 524 CG2 THR A 49 3.060 -6.119 8.242 1.00 0.00 C ATOM 0 H THR A 49 4.166 -3.625 5.361 1.00 0.00 H new ATOM 0 HA THR A 49 4.610 -6.317 5.944 1.00 0.00 H new ATOM 0 HB THR A 49 2.581 -4.405 7.076 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.613 -3.473 7.305 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.837 -5.647 9.199 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.181 -6.658 7.890 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.888 -6.817 8.366 1.00 0.00 H new ATOM 532 N ARG A 50 1.580 -5.642 4.814 1.00 0.00 N ATOM 533 CA ARG A 50 0.376 -6.242 4.253 1.00 0.00 C ATOM 534 C ARG A 50 0.711 -7.076 3.021 1.00 0.00 C ATOM 535 O ARG A 50 0.113 -8.125 2.790 1.00 0.00 O ATOM 536 CB ARG A 50 -0.637 -5.153 3.891 1.00 0.00 C ATOM 537 CG ARG A 50 -1.819 -5.082 4.844 1.00 0.00 C ATOM 538 CD ARG A 50 -2.709 -3.885 4.542 1.00 0.00 C ATOM 539 NE ARG A 50 -2.542 -2.816 5.525 1.00 0.00 N ATOM 540 CZ ARG A 50 -3.111 -2.821 6.728 1.00 0.00 C ATOM 541 NH1 ARG A 50 -3.883 -3.833 7.102 1.00 0.00 N ATOM 542 NH2 ARG A 50 -2.905 -1.810 7.562 1.00 0.00 N ATOM 0 H ARG A 50 1.589 -4.622 4.798 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.062 -6.899 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.132 -4.187 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.005 -5.332 2.881 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.403 -5.999 4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.457 -5.018 5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.477 -3.503 3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.751 -4.203 4.526 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.955 -2.020 5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.044 -4.614 6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.316 -3.830 8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.311 -1.030 7.281 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.341 -1.813 8.484 1.00 0.00 H new ATOM 556 N TYR A 51 1.672 -6.602 2.233 1.00 0.00 N ATOM 557 CA TYR A 51 2.088 -7.305 1.023 1.00 0.00 C ATOM 558 C TYR A 51 2.569 -8.717 1.351 1.00 0.00 C ATOM 559 O TYR A 51 2.050 -9.698 0.818 1.00 0.00 O ATOM 560 CB TYR A 51 3.194 -6.515 0.311 1.00 0.00 C ATOM 561 CG TYR A 51 3.988 -7.328 -0.691 1.00 0.00 C ATOM 562 CD1 TYR A 51 5.044 -8.133 -0.279 1.00 0.00 C ATOM 563 CD2 TYR A 51 3.685 -7.289 -2.046 1.00 0.00 C ATOM 564 CE1 TYR A 51 5.772 -8.875 -1.187 1.00 0.00 C ATOM 565 CE2 TYR A 51 4.409 -8.029 -2.961 1.00 0.00 C ATOM 566 CZ TYR A 51 5.451 -8.821 -2.526 1.00 0.00 C ATOM 567 OH TYR A 51 6.175 -9.561 -3.434 1.00 0.00 O ATOM 0 H TYR A 51 2.177 -5.734 2.411 1.00 0.00 H new ATOM 0 HA TYR A 51 1.228 -7.387 0.359 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.745 -5.664 -0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.877 -6.112 1.059 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.299 -8.179 0.769 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.870 -6.670 -2.390 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.589 -9.495 -0.850 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.160 -7.987 -4.011 1.00 0.00 H new ATOM 0 HH TYR A 51 5.820 -9.411 -4.335 1.00 0.00 H new ATOM 577 N ARG A 52 3.567 -8.811 2.223 1.00 0.00 N ATOM 578 CA ARG A 52 4.125 -10.099 2.618 1.00 0.00 C ATOM 579 C ARG A 52 3.038 -11.037 3.140 1.00 0.00 C ATOM 580 O ARG A 52 2.958 -12.195 2.733 1.00 0.00 O ATOM 581 CB ARG A 52 5.202 -9.905 3.686 1.00 0.00 C ATOM 582 CG ARG A 52 6.306 -10.948 3.633 1.00 0.00 C ATOM 583 CD ARG A 52 7.160 -10.918 4.892 1.00 0.00 C ATOM 584 NE ARG A 52 7.556 -9.559 5.255 1.00 0.00 N ATOM 585 CZ ARG A 52 7.977 -9.209 6.469 1.00 0.00 C ATOM 586 NH1 ARG A 52 8.060 -10.113 7.437 1.00 0.00 N ATOM 587 NH2 ARG A 52 8.317 -7.950 6.714 1.00 0.00 N ATOM 0 H ARG A 52 4.007 -8.007 2.671 1.00 0.00 H new ATOM 0 HA ARG A 52 4.573 -10.554 1.734 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.643 -8.915 3.570 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.735 -9.932 4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.867 -11.939 3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.935 -10.770 2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.605 -11.366 5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.051 -11.526 4.740 1.00 0.00 H new ATOM 0 HE ARG A 52 7.507 -8.836 4.537 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.801 -11.082 7.253 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.383 -9.839 8.365 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.256 -7.252 5.973 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.640 -7.680 7.643 1.00 0.00 H new ATOM 601 N LYS A 53 2.210 -10.531 4.046 1.00 0.00 N ATOM 602 CA LYS A 53 1.134 -11.329 4.624 1.00 0.00 C ATOM 603 C LYS A 53 0.015 -11.569 3.612 1.00 0.00 C ATOM 604 O LYS A 53 -0.736 -12.539 3.724 1.00 0.00 O ATOM 605 CB LYS A 53 0.576 -10.644 5.872 1.00 0.00 C ATOM 606 CG LYS A 53 -0.142 -11.592 6.822 1.00 0.00 C ATOM 607 CD LYS A 53 0.766 -12.723 7.288 1.00 0.00 C ATOM 608 CE LYS A 53 2.022 -12.196 7.966 1.00 0.00 C ATOM 609 NZ LYS A 53 3.254 -12.558 7.211 1.00 0.00 N ATOM 0 H LYS A 53 2.262 -9.574 4.396 1.00 0.00 H new ATOM 0 HA LYS A 53 1.550 -12.297 4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.394 -10.159 6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.115 -9.858 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.502 -11.035 7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.017 -12.010 6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.221 -13.365 7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.045 -13.340 6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.958 -11.112 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.085 -12.598 8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.090 -12.210 7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.312 -13.592 7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.222 -12.125 6.266 1.00 0.00 H new ATOM 623 N ALA A 54 -0.096 -10.681 2.629 1.00 0.00 N ATOM 624 CA ALA A 54 -1.129 -10.803 1.606 1.00 0.00 C ATOM 625 C ALA A 54 -0.727 -11.807 0.531 1.00 0.00 C ATOM 626 O ALA A 54 -1.570 -12.523 -0.009 1.00 0.00 O ATOM 627 CB ALA A 54 -1.416 -9.446 0.979 1.00 0.00 C ATOM 0 H ALA A 54 0.515 -9.871 2.519 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.036 -11.170 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.189 -9.553 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.758 -8.755 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.507 -9.057 0.521 1.00 0.00 H new ATOM 633 N VAL A 55 0.565 -11.854 0.224 1.00 0.00 N ATOM 634 CA VAL A 55 1.075 -12.772 -0.787 1.00 0.00 C ATOM 635 C VAL A 55 1.456 -14.123 -0.178 1.00 0.00 C ATOM 636 O VAL A 55 2.058 -14.964 -0.845 1.00 0.00 O ATOM 637 CB VAL A 55 2.299 -12.180 -1.516 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.464 -11.990 -0.555 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.704 -13.065 -2.687 1.00 0.00 C ATOM 0 H VAL A 55 1.277 -11.268 0.660 1.00 0.00 H new ATOM 0 HA VAL A 55 0.270 -12.924 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 55 2.022 -11.201 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.315 -11.572 -1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.169 -11.310 0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.743 -12.953 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.569 -12.631 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.958 -14.060 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.875 -13.139 -3.391 1.00 0.00 H new ATOM 649 N ALA A 56 1.098 -14.327 1.088 1.00 0.00 N ATOM 650 CA ALA A 56 1.403 -15.576 1.776 1.00 0.00 C ATOM 651 C ALA A 56 2.908 -15.769 1.927 1.00 0.00 C ATOM 652 O ALA A 56 3.456 -16.804 1.547 1.00 0.00 O ATOM 653 CB ALA A 56 0.788 -16.753 1.031 1.00 0.00 C ATOM 0 H ALA A 56 0.597 -13.644 1.656 1.00 0.00 H new ATOM 0 HA ALA A 56 0.970 -15.526 2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.024 -17.679 1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.294 -16.628 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.193 -16.796 0.020 1.00 0.00 H new ATOM 659 N LYS A 57 3.573 -14.762 2.485 1.00 0.00 N ATOM 660 CA LYS A 57 5.016 -14.819 2.690 1.00 0.00 C ATOM 661 C LYS A 57 5.367 -14.622 4.161 1.00 0.00 C ATOM 662 O LYS A 57 4.483 -14.531 5.013 1.00 0.00 O ATOM 663 CB LYS A 57 5.713 -13.757 1.843 1.00 0.00 C ATOM 664 CG LYS A 57 5.955 -14.190 0.408 1.00 0.00 C ATOM 665 CD LYS A 57 6.476 -13.040 -0.431 1.00 0.00 C ATOM 666 CE LYS A 57 6.287 -13.295 -1.918 1.00 0.00 C ATOM 667 NZ LYS A 57 7.576 -13.605 -2.596 1.00 0.00 N ATOM 0 H LYS A 57 3.136 -13.897 2.803 1.00 0.00 H new ATOM 0 HA LYS A 57 5.362 -15.806 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.109 -12.849 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.668 -13.505 2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.671 -15.011 0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.027 -14.567 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.959 -12.122 -0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.534 -12.886 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.594 -14.124 -2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.834 -12.419 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.410 -14.290 -3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.978 -12.732 -2.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.242 -14.010 -1.907 1.00 0.00 H new ATOM 681 N ASP A 58 6.662 -14.561 4.449 1.00 0.00 N ATOM 682 CA ASP A 58 7.133 -14.377 5.817 1.00 0.00 C ATOM 683 C ASP A 58 8.505 -13.702 5.824 1.00 0.00 C ATOM 684 O ASP A 58 9.117 -13.522 4.773 1.00 0.00 O ATOM 685 CB ASP A 58 7.198 -15.729 6.531 1.00 0.00 C ATOM 686 CG ASP A 58 6.089 -15.896 7.552 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.117 -15.112 7.508 1.00 0.00 O ATOM 688 OD2 ASP A 58 6.191 -16.812 8.395 1.00 0.00 O ATOM 0 H ASP A 58 7.405 -14.636 3.754 1.00 0.00 H new ATOM 0 HA ASP A 58 6.433 -13.732 6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.134 -16.530 5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.163 -15.829 7.027 1.00 0.00 H new ATOM 693 N PRO A 59 9.012 -13.314 7.011 1.00 0.00 N ATOM 694 CA PRO A 59 10.318 -12.652 7.129 1.00 0.00 C ATOM 695 C PRO A 59 11.474 -13.520 6.627 1.00 0.00 C ATOM 696 O PRO A 59 12.597 -13.038 6.482 1.00 0.00 O ATOM 697 CB PRO A 59 10.461 -12.390 8.633 1.00 0.00 C ATOM 698 CG PRO A 59 9.496 -13.319 9.287 1.00 0.00 C ATOM 699 CD PRO A 59 8.357 -13.475 8.320 1.00 0.00 C ATOM 0 HA PRO A 59 10.361 -11.750 6.519 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.480 -12.580 8.970 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.233 -11.352 8.875 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.963 -14.281 9.500 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.149 -12.916 10.238 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.877 -14.449 8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.585 -12.723 8.481 1.00 0.00 H new ATOM 707 N ASN A 60 11.196 -14.798 6.365 1.00 0.00 N ATOM 708 CA ASN A 60 12.218 -15.727 5.880 1.00 0.00 C ATOM 709 C ASN A 60 13.087 -15.094 4.794 1.00 0.00 C ATOM 710 O ASN A 60 14.287 -15.350 4.722 1.00 0.00 O ATOM 711 CB ASN A 60 11.562 -17.000 5.344 1.00 0.00 C ATOM 712 CG ASN A 60 10.559 -16.714 4.244 1.00 0.00 C ATOM 713 OD1 ASN A 60 9.588 -15.984 4.447 1.00 0.00 O ATOM 714 ND2 ASN A 60 10.788 -17.289 3.069 1.00 0.00 N ATOM 0 H ASN A 60 10.272 -15.213 6.480 1.00 0.00 H new ATOM 0 HA ASN A 60 12.863 -15.977 6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.333 -17.670 4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.062 -17.520 6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.147 -17.133 2.291 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.605 -17.887 2.944 1.00 0.00 H new ATOM 721 N TYR A 61 12.472 -14.267 3.953 1.00 0.00 N ATOM 722 CA TYR A 61 13.197 -13.599 2.876 1.00 0.00 C ATOM 723 C TYR A 61 13.341 -12.105 3.167 1.00 0.00 C ATOM 724 O TYR A 61 12.598 -11.549 3.975 1.00 0.00 O ATOM 725 CB TYR A 61 12.492 -13.825 1.532 1.00 0.00 C ATOM 726 CG TYR A 61 11.284 -12.940 1.302 1.00 0.00 C ATOM 727 CD1 TYR A 61 10.145 -13.066 2.086 1.00 0.00 C ATOM 728 CD2 TYR A 61 11.288 -11.977 0.302 1.00 0.00 C ATOM 729 CE1 TYR A 61 9.043 -12.258 1.880 1.00 0.00 C ATOM 730 CE2 TYR A 61 10.190 -11.166 0.088 1.00 0.00 C ATOM 731 CZ TYR A 61 9.072 -11.310 0.881 1.00 0.00 C ATOM 732 OH TYR A 61 7.974 -10.503 0.672 1.00 0.00 O ATOM 0 H TYR A 61 11.478 -14.044 3.996 1.00 0.00 H new ATOM 0 HA TYR A 61 14.196 -14.031 2.816 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.208 -13.658 0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.180 -14.868 1.470 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.120 -13.808 2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.164 -11.860 -0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.165 -12.369 2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.208 -10.424 -0.696 1.00 0.00 H new ATOM 0 HH TYR A 61 8.256 -9.674 0.232 1.00 0.00 H new ATOM 742 N TRP A 62 14.304 -11.462 2.512 1.00 0.00 N ATOM 743 CA TRP A 62 14.540 -10.037 2.716 1.00 0.00 C ATOM 744 C TRP A 62 13.662 -9.195 1.795 1.00 0.00 C ATOM 745 O TRP A 62 13.294 -9.630 0.701 1.00 0.00 O ATOM 746 CB TRP A 62 16.021 -9.699 2.488 1.00 0.00 C ATOM 747 CG TRP A 62 16.322 -9.177 1.113 1.00 0.00 C ATOM 748 CD1 TRP A 62 16.052 -9.796 -0.072 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.937 -7.927 0.782 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.473 -9.015 -1.120 1.00 0.00 N ATOM 751 CE2 TRP A 62 17.017 -7.862 -0.622 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.430 -6.859 1.534 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.572 -6.772 -1.288 1.00 0.00 C ATOM 754 CZ3 TRP A 62 17.978 -5.777 0.872 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.045 -5.739 -0.526 1.00 0.00 C ATOM 0 H TRP A 62 14.930 -11.903 1.839 1.00 0.00 H new ATOM 0 HA TRP A 62 14.278 -9.800 3.747 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.331 -8.957 3.224 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.619 -10.593 2.665 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.576 -10.760 -0.172 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.393 -9.255 -2.108 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.384 -6.878 2.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.627 -6.743 -2.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.362 -4.945 1.444 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.478 -4.878 -1.012 1.00 0.00 H new ATOM 766 N ILE A 63 13.345 -7.983 2.248 1.00 0.00 N ATOM 767 CA ILE A 63 12.525 -7.061 1.472 1.00 0.00 C ATOM 768 C ILE A 63 13.027 -5.629 1.628 1.00 0.00 C ATOM 769 O ILE A 63 12.913 -5.033 2.700 1.00 0.00 O ATOM 770 CB ILE A 63 11.043 -7.121 1.905 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.523 -8.554 1.821 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.194 -6.195 1.043 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.199 -8.757 2.528 1.00 0.00 C ATOM 0 H ILE A 63 13.646 -7.618 3.152 1.00 0.00 H new ATOM 0 HA ILE A 63 12.602 -7.366 0.428 1.00 0.00 H new ATOM 0 HB ILE A 63 10.973 -6.786 2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.413 -8.832 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.264 -9.227 2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.154 -6.252 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.551 -5.171 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.269 -6.499 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.889 -9.797 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.309 -8.511 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.445 -8.109 2.081 1.00 0.00 H new ATOM 785 N GLN A 64 13.577 -5.078 0.551 1.00 0.00 N ATOM 786 CA GLN A 64 14.089 -3.712 0.567 1.00 0.00 C ATOM 787 C GLN A 64 13.188 -2.786 -0.243 1.00 0.00 C ATOM 788 O GLN A 64 13.173 -2.839 -1.472 1.00 0.00 O ATOM 789 CB GLN A 64 15.512 -3.672 0.012 1.00 0.00 C ATOM 790 CG GLN A 64 16.443 -2.753 0.786 1.00 0.00 C ATOM 791 CD GLN A 64 16.795 -1.495 0.019 1.00 0.00 C ATOM 792 OE1 GLN A 64 17.309 -1.559 -1.098 1.00 0.00 O ATOM 793 NE2 GLN A 64 16.520 -0.340 0.614 1.00 0.00 N ATOM 0 H GLN A 64 13.680 -5.556 -0.344 1.00 0.00 H new ATOM 0 HA GLN A 64 14.101 -3.366 1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.924 -4.681 0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.478 -3.348 -1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 64 15.973 -2.478 1.730 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.358 -3.292 1.031 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.094 -0.332 1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.735 0.540 0.144 1.00 0.00 H new ATOM 802 N VAL A 65 12.438 -1.940 0.454 1.00 0.00 N ATOM 803 CA VAL A 65 11.531 -1.004 -0.201 1.00 0.00 C ATOM 804 C VAL A 65 12.272 0.244 -0.668 1.00 0.00 C ATOM 805 O VAL A 65 12.555 1.144 0.124 1.00 0.00 O ATOM 806 CB VAL A 65 10.380 -0.583 0.732 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.285 0.119 -0.054 1.00 0.00 C ATOM 808 CG2 VAL A 65 9.820 -1.789 1.474 1.00 0.00 C ATOM 0 H VAL A 65 12.440 -1.883 1.472 1.00 0.00 H new ATOM 0 HA VAL A 65 11.115 -1.523 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 65 10.775 0.116 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.481 0.409 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.694 1.008 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.894 -0.556 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.008 -1.469 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.442 -2.516 0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.608 -2.247 2.072 1.00 0.00 H new ATOM 818 N HIS A 66 12.589 0.291 -1.959 1.00 0.00 N ATOM 819 CA HIS A 66 13.300 1.430 -2.533 1.00 0.00 C ATOM 820 C HIS A 66 12.537 2.730 -2.299 1.00 0.00 C ATOM 821 O HIS A 66 12.913 3.538 -1.449 1.00 0.00 O ATOM 822 CB HIS A 66 13.525 1.216 -4.031 1.00 0.00 C ATOM 823 CG HIS A 66 14.365 0.017 -4.344 1.00 0.00 C ATOM 824 ND1 HIS A 66 14.075 -1.114 -5.031 1.00 0.00 N flip ATOM 825 CD2 HIS A 66 15.676 -0.111 -3.935 1.00 0.00 C flip ATOM 826 CE1 HIS A 66 15.205 -1.896 -5.024 1.00 0.00 C flip ATOM 827 NE2 HIS A 66 16.156 -1.268 -4.357 1.00 0.00 N flip ATOM 0 H HIS A 66 12.365 -0.446 -2.627 1.00 0.00 H new ATOM 0 HA HIS A 66 14.267 1.508 -2.035 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.559 1.111 -4.524 1.00 0.00 H new ATOM 0 HB3 HIS A 66 14.002 2.103 -4.449 1.00 0.00 H new ATOM 0 HD2 HIS A 66 16.225 0.620 -3.360 1.00 0.00 H new ATOM 0 HE1 HIS A 66 15.300 -2.866 -5.488 1.00 0.00 H new ATOM 0 HE2 HIS A 66 17.101 -1.617 -4.195 1.00 0.00 H new ATOM 836 N ARG A 67 11.466 2.927 -3.059 1.00 0.00 N ATOM 837 CA ARG A 67 10.652 4.132 -2.937 1.00 0.00 C ATOM 838 C ARG A 67 9.292 3.940 -3.604 1.00 0.00 C ATOM 839 O ARG A 67 8.945 2.834 -4.019 1.00 0.00 O ATOM 840 CB ARG A 67 11.377 5.327 -3.559 1.00 0.00 C ATOM 841 CG ARG A 67 11.625 5.180 -5.051 1.00 0.00 C ATOM 842 CD ARG A 67 13.100 4.980 -5.358 1.00 0.00 C ATOM 843 NE ARG A 67 13.350 4.852 -6.792 1.00 0.00 N ATOM 844 CZ ARG A 67 13.343 5.879 -7.639 1.00 0.00 C ATOM 845 NH1 ARG A 67 13.098 7.108 -7.201 1.00 0.00 N ATOM 846 NH2 ARG A 67 13.581 5.676 -8.927 1.00 0.00 N ATOM 0 H ARG A 67 11.141 2.268 -3.766 1.00 0.00 H new ATOM 0 HA ARG A 67 10.491 4.327 -1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.790 6.229 -3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.332 5.465 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.056 4.333 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.262 6.068 -5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.669 5.822 -4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.459 4.087 -4.847 1.00 0.00 H new ATOM 0 HE ARG A 67 13.541 3.922 -7.166 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.914 7.269 -6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.094 7.891 -7.855 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.769 4.733 -9.268 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.576 6.462 -9.577 1.00 0.00 H new ATOM 860 N LEU A 68 8.525 5.022 -3.704 1.00 0.00 N ATOM 861 CA LEU A 68 7.203 4.966 -4.321 1.00 0.00 C ATOM 862 C LEU A 68 7.080 6.000 -5.436 1.00 0.00 C ATOM 863 O LEU A 68 7.800 6.998 -5.456 1.00 0.00 O ATOM 864 CB LEU A 68 6.117 5.198 -3.267 1.00 0.00 C ATOM 865 CG LEU A 68 5.395 3.935 -2.792 1.00 0.00 C ATOM 866 CD1 LEU A 68 4.554 3.346 -3.916 1.00 0.00 C ATOM 867 CD2 LEU A 68 6.396 2.912 -2.275 1.00 0.00 C ATOM 0 H LEU A 68 8.795 5.946 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 68 7.071 3.975 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.569 5.686 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.379 5.889 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 68 4.728 4.205 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.048 2.449 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.812 4.077 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.199 3.090 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.865 2.020 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.088 2.645 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.952 3.337 -1.440 1.00 0.00 H new ATOM 879 N GLU A 69 6.157 5.755 -6.363 1.00 0.00 N ATOM 880 CA GLU A 69 5.934 6.664 -7.482 1.00 0.00 C ATOM 881 C GLU A 69 4.448 6.754 -7.818 1.00 0.00 C ATOM 882 O GLU A 69 3.663 5.886 -7.440 1.00 0.00 O ATOM 883 CB GLU A 69 6.718 6.198 -8.709 1.00 0.00 C ATOM 884 CG GLU A 69 8.177 5.885 -8.419 1.00 0.00 C ATOM 885 CD GLU A 69 8.443 4.397 -8.305 1.00 0.00 C ATOM 886 OE1 GLU A 69 7.995 3.789 -7.311 1.00 0.00 O ATOM 887 OE2 GLU A 69 9.099 3.840 -9.211 1.00 0.00 O ATOM 0 H GLU A 69 5.552 4.934 -6.360 1.00 0.00 H new ATOM 0 HA GLU A 69 6.285 7.654 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.239 5.309 -9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.667 6.970 -9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.799 6.302 -9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.472 6.375 -7.491 1.00 0.00 H new ATOM 894 N HIS A 70 4.070 7.809 -8.532 1.00 0.00 N ATOM 895 CA HIS A 70 2.678 8.008 -8.918 1.00 0.00 C ATOM 896 C HIS A 70 2.323 7.151 -10.128 1.00 0.00 C ATOM 897 O HIS A 70 1.448 6.287 -10.053 1.00 0.00 O ATOM 898 CB HIS A 70 2.418 9.484 -9.229 1.00 0.00 C ATOM 899 CG HIS A 70 2.101 10.305 -8.018 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.951 10.138 -7.276 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.793 11.302 -7.418 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.947 10.999 -6.274 1.00 0.00 C ATOM 903 NE2 HIS A 70 2.055 11.716 -6.338 1.00 0.00 N ATOM 0 H HIS A 70 4.707 8.538 -8.854 1.00 0.00 H new ATOM 0 HA HIS A 70 2.048 7.705 -8.082 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.295 9.903 -9.722 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.590 9.558 -9.934 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.218 9.456 -7.470 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.748 11.698 -7.731 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.171 11.100 -5.530 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.319 12.458 -5.689 1.00 0.00 H new ATOM 912 N GLY A 71 3.004 7.395 -11.241 1.00 0.00 N ATOM 913 CA GLY A 71 2.745 6.636 -12.450 1.00 0.00 C ATOM 914 C GLY A 71 3.447 7.216 -13.663 1.00 0.00 C ATOM 915 O GLY A 71 2.833 7.914 -14.469 1.00 0.00 O ATOM 0 H GLY A 71 3.731 8.105 -11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.070 5.606 -12.305 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.671 6.609 -12.635 1.00 0.00 H new ATOM 919 N ASP A 72 4.738 6.924 -13.793 1.00 0.00 N ATOM 920 CA ASP A 72 5.524 7.420 -14.917 1.00 0.00 C ATOM 921 C ASP A 72 5.541 8.945 -14.938 1.00 0.00 C ATOM 922 O ASP A 72 5.375 9.565 -15.989 1.00 0.00 O ATOM 923 CB ASP A 72 4.961 6.884 -16.235 1.00 0.00 C ATOM 924 CG ASP A 72 6.002 6.853 -17.337 1.00 0.00 C ATOM 925 OD1 ASP A 72 6.793 5.888 -17.379 1.00 0.00 O ATOM 926 OD2 ASP A 72 6.025 7.794 -18.160 1.00 0.00 O ATOM 0 H ASP A 72 5.261 6.347 -13.134 1.00 0.00 H new ATOM 0 HA ASP A 72 6.548 7.066 -14.798 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.571 5.878 -16.078 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.122 7.506 -16.548 1.00 0.00 H new ATOM 931 N GLY A 73 5.745 9.547 -13.770 1.00 0.00 N ATOM 932 CA GLY A 73 5.782 10.994 -13.678 1.00 0.00 C ATOM 933 C GLY A 73 5.271 11.505 -12.346 1.00 0.00 C ATOM 934 O GLY A 73 4.274 12.227 -12.290 1.00 0.00 O ATOM 0 H GLY A 73 5.885 9.058 -12.886 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.806 11.338 -13.827 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.182 11.421 -14.482 1.00 0.00 H new ATOM 938 N GLY A 74 5.954 11.130 -11.270 1.00 0.00 N ATOM 939 CA GLY A 74 5.548 11.566 -9.946 1.00 0.00 C ATOM 940 C GLY A 74 6.192 10.751 -8.841 1.00 0.00 C ATOM 941 O GLY A 74 5.519 10.324 -7.903 1.00 0.00 O ATOM 0 H GLY A 74 6.781 10.533 -11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.809 12.616 -9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.464 11.495 -9.860 1.00 0.00 H new ATOM 945 N ILE A 75 7.499 10.535 -8.952 1.00 0.00 N ATOM 946 CA ILE A 75 8.233 9.768 -7.954 1.00 0.00 C ATOM 947 C ILE A 75 8.189 10.456 -6.596 1.00 0.00 C ATOM 948 O ILE A 75 8.014 11.673 -6.512 1.00 0.00 O ATOM 949 CB ILE A 75 9.704 9.565 -8.365 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.794 9.135 -9.831 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.369 8.538 -7.458 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.202 8.833 -10.297 1.00 0.00 C ATOM 0 H ILE A 75 8.071 10.880 -9.723 1.00 0.00 H new ATOM 0 HA ILE A 75 7.748 8.795 -7.885 1.00 0.00 H new ATOM 0 HB ILE A 75 10.232 10.512 -8.255 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.175 8.250 -9.978 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.376 9.923 -10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.408 8.405 -7.760 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.333 8.887 -6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.843 7.587 -7.538 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.182 8.536 -11.345 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.821 9.723 -10.184 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.618 8.023 -9.698 1.00 0.00 H new ATOM 964 N LEU A 76 8.345 9.675 -5.534 1.00 0.00 N ATOM 965 CA LEU A 76 8.322 10.217 -4.180 1.00 0.00 C ATOM 966 C LEU A 76 9.088 9.322 -3.213 1.00 0.00 C ATOM 967 O LEU A 76 9.079 8.096 -3.341 1.00 0.00 O ATOM 968 CB LEU A 76 6.883 10.397 -3.698 1.00 0.00 C ATOM 969 CG LEU A 76 5.919 9.313 -4.167 1.00 0.00 C ATOM 970 CD1 LEU A 76 5.433 8.477 -2.992 1.00 0.00 C ATOM 971 CD2 LEU A 76 4.744 9.923 -4.916 1.00 0.00 C ATOM 0 H LEU A 76 8.489 8.666 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 76 8.812 11.190 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.879 10.423 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.517 11.365 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 76 6.455 8.656 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.746 7.710 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.285 8.002 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.919 9.119 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.069 9.131 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.209 10.608 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.110 10.468 -5.786 1.00 0.00 H new ATOM 983 N ASP A 77 9.750 9.946 -2.244 1.00 0.00 N ATOM 984 CA ASP A 77 10.524 9.216 -1.249 1.00 0.00 C ATOM 985 C ASP A 77 9.690 8.964 0.007 1.00 0.00 C ATOM 986 O ASP A 77 8.462 9.031 -0.031 1.00 0.00 O ATOM 987 CB ASP A 77 11.800 9.993 -0.904 1.00 0.00 C ATOM 988 CG ASP A 77 11.513 11.283 -0.160 1.00 0.00 C ATOM 989 OD1 ASP A 77 11.212 12.296 -0.825 1.00 0.00 O ATOM 990 OD2 ASP A 77 11.589 11.279 1.087 1.00 0.00 O ATOM 0 H ASP A 77 9.765 10.959 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 77 10.805 8.249 -1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.451 9.364 -0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.342 10.220 -1.822 1.00 0.00 H new ATOM 995 N LEU A 78 10.361 8.673 1.120 1.00 0.00 N ATOM 996 CA LEU A 78 9.673 8.411 2.380 1.00 0.00 C ATOM 997 C LEU A 78 9.878 9.561 3.360 1.00 0.00 C ATOM 998 O LEU A 78 10.791 9.530 4.185 1.00 0.00 O ATOM 999 CB LEU A 78 10.172 7.102 3.002 1.00 0.00 C ATOM 1000 CG LEU A 78 10.691 6.061 2.007 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.184 6.236 1.781 1.00 0.00 C ATOM 1002 CD2 LEU A 78 10.384 4.655 2.499 1.00 0.00 C ATOM 0 H LEU A 78 11.378 8.613 1.174 1.00 0.00 H new ATOM 0 HA LEU A 78 8.608 8.320 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.969 7.335 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.358 6.658 3.576 1.00 0.00 H new ATOM 0 HG LEU A 78 10.182 6.210 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.535 5.487 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.377 7.232 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.712 6.114 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.760 3.928 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.866 4.494 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.306 4.535 2.607 1.00 0.00 H new ATOM 1014 N ASP A 79 9.022 10.574 3.266 1.00 0.00 N ATOM 1015 CA ASP A 79 9.111 11.734 4.149 1.00 0.00 C ATOM 1016 C ASP A 79 7.969 12.711 3.883 1.00 0.00 C ATOM 1017 O ASP A 79 7.410 13.293 4.812 1.00 0.00 O ATOM 1018 CB ASP A 79 10.456 12.439 3.965 1.00 0.00 C ATOM 1019 CG ASP A 79 11.462 12.051 5.031 1.00 0.00 C ATOM 1020 OD1 ASP A 79 11.108 12.099 6.228 1.00 0.00 O ATOM 1021 OD2 ASP A 79 12.605 11.699 4.670 1.00 0.00 O ATOM 0 H ASP A 79 8.260 10.616 2.589 1.00 0.00 H new ATOM 0 HA ASP A 79 9.031 11.383 5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.860 12.195 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.304 13.518 3.988 1.00 0.00 H new ATOM 1026 N ASP A 80 7.632 12.888 2.610 1.00 0.00 N ATOM 1027 CA ASP A 80 6.557 13.798 2.225 1.00 0.00 C ATOM 1028 C ASP A 80 5.205 13.285 2.712 1.00 0.00 C ATOM 1029 O ASP A 80 4.843 12.134 2.472 1.00 0.00 O ATOM 1030 CB ASP A 80 6.535 13.979 0.705 1.00 0.00 C ATOM 1031 CG ASP A 80 6.508 15.439 0.297 1.00 0.00 C ATOM 1032 OD1 ASP A 80 7.579 16.083 0.331 1.00 0.00 O ATOM 1033 OD2 ASP A 80 5.420 15.937 -0.056 1.00 0.00 O ATOM 0 H ASP A 80 8.086 12.415 1.828 1.00 0.00 H new ATOM 0 HA ASP A 80 6.745 14.763 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.413 13.500 0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.661 13.474 0.294 1.00 0.00 H new ATOM 1038 N ILE A 81 4.462 14.146 3.404 1.00 0.00 N ATOM 1039 CA ILE A 81 3.153 13.784 3.930 1.00 0.00 C ATOM 1040 C ILE A 81 2.228 13.267 2.831 1.00 0.00 C ATOM 1041 O ILE A 81 2.428 13.548 1.649 1.00 0.00 O ATOM 1042 CB ILE A 81 2.503 14.983 4.645 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.298 15.309 5.904 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.048 14.695 4.993 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.258 14.196 6.927 1.00 0.00 C ATOM 0 H ILE A 81 4.748 15.103 3.613 1.00 0.00 H new ATOM 0 HA ILE A 81 3.304 12.980 4.650 1.00 0.00 H new ATOM 0 HB ILE A 81 2.516 15.841 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.334 15.509 5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.904 16.222 6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.616 15.560 5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.489 14.491 4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.996 13.828 5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.841 14.484 7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.226 14.012 7.224 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.678 13.288 6.494 1.00 0.00 H new ATOM 1057 N LEU A 82 1.223 12.500 3.238 1.00 0.00 N ATOM 1058 CA LEU A 82 0.267 11.924 2.301 1.00 0.00 C ATOM 1059 C LEU A 82 -0.417 13.001 1.461 1.00 0.00 C ATOM 1060 O LEU A 82 -0.373 12.963 0.232 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.783 11.102 3.054 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.650 9.585 2.903 1.00 0.00 C ATOM 1063 CD1 LEU A 82 -0.567 9.195 1.432 1.00 0.00 C ATOM 1064 CD2 LEU A 82 0.569 9.081 3.663 1.00 0.00 C ATOM 0 H LEU A 82 1.049 12.262 4.215 1.00 0.00 H new ATOM 0 HA LEU A 82 0.819 11.272 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.727 11.352 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.772 11.401 2.708 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.538 9.117 3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.473 8.112 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.470 9.522 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.302 9.671 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.650 8.000 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.466 9.557 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.465 9.324 4.720 1.00 0.00 H new ATOM 1076 N CYS A 83 -1.059 13.952 2.131 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.764 15.029 1.444 1.00 0.00 C ATOM 1078 C CYS A 83 -0.797 16.056 0.850 1.00 0.00 C ATOM 1079 O CYS A 83 -1.222 16.996 0.179 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.728 15.726 2.406 1.00 0.00 C ATOM 1081 SG CYS A 83 -3.873 16.871 1.604 1.00 0.00 S ATOM 0 H CYS A 83 -1.106 13.999 3.149 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.323 14.581 0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.303 14.969 2.939 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -2.149 16.271 3.152 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.279 17.449 0.603 1.00 0.00 H new ATOM 1087 N ASP A 84 0.499 15.878 1.096 1.00 0.00 N ATOM 1088 CA ASP A 84 1.500 16.803 0.579 1.00 0.00 C ATOM 1089 C ASP A 84 2.096 16.302 -0.733 1.00 0.00 C ATOM 1090 O ASP A 84 2.497 17.098 -1.584 1.00 0.00 O ATOM 1091 CB ASP A 84 2.613 17.011 1.610 1.00 0.00 C ATOM 1092 CG ASP A 84 2.206 17.963 2.718 1.00 0.00 C ATOM 1093 OD1 ASP A 84 1.173 18.649 2.564 1.00 0.00 O ATOM 1094 OD2 ASP A 84 2.921 18.022 3.741 1.00 0.00 O ATOM 0 H ASP A 84 0.877 15.107 1.646 1.00 0.00 H new ATOM 0 HA ASP A 84 1.004 17.754 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.887 16.049 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.500 17.399 1.109 1.00 0.00 H new ATOM 1099 N VAL A 85 2.162 14.984 -0.892 1.00 0.00 N ATOM 1100 CA VAL A 85 2.721 14.391 -2.103 1.00 0.00 C ATOM 1101 C VAL A 85 1.704 13.509 -2.825 1.00 0.00 C ATOM 1102 O VAL A 85 1.747 13.378 -4.049 1.00 0.00 O ATOM 1103 CB VAL A 85 3.982 13.560 -1.789 1.00 0.00 C ATOM 1104 CG1 VAL A 85 3.655 12.415 -0.841 1.00 0.00 C ATOM 1105 CG2 VAL A 85 4.614 13.036 -3.070 1.00 0.00 C ATOM 0 H VAL A 85 1.837 14.308 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 85 2.991 15.220 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 85 4.703 14.212 -1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.560 11.844 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.259 12.817 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.911 11.763 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.502 12.453 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.899 12.404 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.895 13.875 -3.707 1.00 0.00 H new ATOM 1115 N ALA A 86 0.797 12.902 -2.068 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.218 12.031 -2.648 1.00 0.00 C ATOM 1117 C ALA A 86 -1.602 12.664 -2.568 1.00 0.00 C ATOM 1118 O ALA A 86 -1.778 13.725 -1.968 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.217 10.680 -1.948 1.00 0.00 C ATOM 0 H ALA A 86 0.744 12.997 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 86 0.026 11.887 -3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.980 10.040 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.761 10.212 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.431 10.819 -0.888 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.582 12.004 -3.176 1.00 0.00 N ATOM 1126 CA ASP A 87 -3.953 12.497 -3.173 1.00 0.00 C ATOM 1127 C ASP A 87 -4.938 11.361 -2.909 1.00 0.00 C ATOM 1128 O ASP A 87 -4.637 10.195 -3.165 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.278 13.169 -4.508 1.00 0.00 C ATOM 1130 CG ASP A 87 -3.900 12.306 -5.696 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -4.665 11.372 -6.018 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -2.841 12.564 -6.305 1.00 0.00 O ATOM 0 H ASP A 87 -2.451 11.125 -3.677 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.048 13.231 -2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.344 13.393 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.750 14.121 -4.571 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.114 11.710 -2.395 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.146 10.723 -2.093 1.00 0.00 C ATOM 1139 C ASP A 88 -7.378 9.789 -3.278 1.00 0.00 C ATOM 1140 O ASP A 88 -7.490 10.235 -4.420 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.454 11.423 -1.715 1.00 0.00 C ATOM 1142 CG ASP A 88 -8.868 11.144 -0.283 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -8.334 11.809 0.630 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -9.725 10.259 -0.075 1.00 0.00 O ATOM 0 H ASP A 88 -6.376 12.672 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.803 10.125 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.341 12.498 -1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.246 11.096 -2.389 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.444 8.490 -2.997 1.00 0.00 N ATOM 1150 CA LYS A 89 -7.658 7.491 -4.039 1.00 0.00 C ATOM 1151 C LYS A 89 -6.595 7.608 -5.129 1.00 0.00 C ATOM 1152 O LYS A 89 -6.894 7.957 -6.270 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.057 7.644 -4.643 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.047 6.598 -4.155 1.00 0.00 C ATOM 1155 CD LYS A 89 -11.062 7.195 -3.192 1.00 0.00 C ATOM 1156 CE LYS A 89 -12.382 6.442 -3.237 1.00 0.00 C ATOM 1157 NZ LYS A 89 -13.550 7.362 -3.150 1.00 0.00 N ATOM 0 H LYS A 89 -7.352 8.105 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.577 6.503 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.441 8.636 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.984 7.584 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.567 6.162 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.509 5.789 -3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.662 7.170 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.231 8.242 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.441 5.867 -4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.421 5.728 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.430 6.809 -3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.508 7.892 -2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.528 8.028 -3.949 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.349 7.316 -4.765 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.242 7.396 -5.712 1.00 0.00 C ATOM 1173 C ASP A 90 -3.490 6.070 -5.792 1.00 0.00 C ATOM 1174 O ASP A 90 -3.127 5.487 -4.769 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.281 8.515 -5.311 1.00 0.00 C ATOM 1176 CG ASP A 90 -2.222 8.775 -6.366 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -1.997 7.885 -7.213 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.618 9.868 -6.344 1.00 0.00 O ATOM 0 H ASP A 90 -5.082 7.023 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.657 7.615 -6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.847 9.430 -5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.796 8.254 -4.370 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.251 5.604 -7.015 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.537 4.350 -7.232 1.00 0.00 C ATOM 1185 C ARG A 91 -1.047 4.608 -7.435 1.00 0.00 C ATOM 1186 O ARG A 91 -0.626 5.081 -8.491 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.112 3.613 -8.443 1.00 0.00 C ATOM 1188 CG ARG A 91 -4.211 2.626 -8.089 1.00 0.00 C ATOM 1189 CD ARG A 91 -5.082 2.304 -9.291 1.00 0.00 C ATOM 1190 NE ARG A 91 -6.347 3.033 -9.261 1.00 0.00 N ATOM 1191 CZ ARG A 91 -7.391 2.677 -8.517 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -7.326 1.602 -7.740 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -8.505 3.398 -8.548 1.00 0.00 N ATOM 0 H ARG A 91 -3.542 6.077 -7.871 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.664 3.726 -6.347 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.505 4.344 -9.149 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.307 3.081 -8.950 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.766 1.708 -7.705 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.829 3.039 -7.292 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.543 2.551 -10.206 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.281 1.233 -9.318 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.435 3.864 -9.845 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.472 1.044 -7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.130 1.334 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.561 4.225 -9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.305 3.125 -7.978 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.254 4.298 -6.415 1.00 0.00 N ATOM 1208 CA LEU A 92 1.189 4.502 -6.476 1.00 0.00 C ATOM 1209 C LEU A 92 1.923 3.195 -6.760 1.00 0.00 C ATOM 1210 O LEU A 92 1.508 2.127 -6.309 1.00 0.00 O ATOM 1211 CB LEU A 92 1.690 5.100 -5.160 1.00 0.00 C ATOM 1212 CG LEU A 92 1.012 6.405 -4.739 1.00 0.00 C ATOM 1213 CD1 LEU A 92 1.393 6.768 -3.314 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.379 7.528 -5.696 1.00 0.00 C ATOM 0 H LEU A 92 -0.587 3.904 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 92 1.395 5.193 -7.293 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.550 4.364 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.762 5.277 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.068 6.261 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.901 7.699 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.078 5.972 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.474 6.894 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.888 8.449 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.459 7.672 -5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.053 7.269 -6.703 1.00 0.00 H new ATOM 1226 N VAL A 93 3.023 3.291 -7.501 1.00 0.00 N ATOM 1227 CA VAL A 93 3.826 2.122 -7.837 1.00 0.00 C ATOM 1228 C VAL A 93 4.962 1.945 -6.834 1.00 0.00 C ATOM 1229 O VAL A 93 5.788 2.840 -6.655 1.00 0.00 O ATOM 1230 CB VAL A 93 4.418 2.230 -9.255 1.00 0.00 C ATOM 1231 CG1 VAL A 93 5.102 0.930 -9.650 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.335 2.598 -10.258 1.00 0.00 C ATOM 0 H VAL A 93 3.378 4.169 -7.880 1.00 0.00 H new ATOM 0 HA VAL A 93 3.164 1.256 -7.800 1.00 0.00 H new ATOM 0 HB VAL A 93 5.167 3.021 -9.257 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.514 1.026 -10.655 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.907 0.714 -8.947 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.376 0.117 -9.632 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.771 2.670 -11.254 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.561 1.831 -10.255 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.896 3.557 -9.984 1.00 0.00 H new ATOM 1242 N ALA A 94 4.990 0.794 -6.174 1.00 0.00 N ATOM 1243 CA ALA A 94 6.017 0.512 -5.178 1.00 0.00 C ATOM 1244 C ALA A 94 7.147 -0.339 -5.751 1.00 0.00 C ATOM 1245 O ALA A 94 6.921 -1.446 -6.243 1.00 0.00 O ATOM 1246 CB ALA A 94 5.400 -0.177 -3.970 1.00 0.00 C ATOM 0 H ALA A 94 4.315 0.042 -6.310 1.00 0.00 H new ATOM 0 HA ALA A 94 6.448 1.465 -4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.176 -0.383 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.643 0.471 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.938 -1.114 -4.282 1.00 0.00 H new ATOM 1252 N VAL A 95 8.366 0.185 -5.662 1.00 0.00 N ATOM 1253 CA VAL A 95 9.544 -0.519 -6.149 1.00 0.00 C ATOM 1254 C VAL A 95 10.390 -1.004 -4.976 1.00 0.00 C ATOM 1255 O VAL A 95 10.798 -0.214 -4.125 1.00 0.00 O ATOM 1256 CB VAL A 95 10.408 0.379 -7.056 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.547 -0.416 -7.672 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.551 1.024 -8.136 1.00 0.00 C ATOM 0 H VAL A 95 8.562 1.099 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 95 9.196 -1.370 -6.735 1.00 0.00 H new ATOM 0 HB VAL A 95 10.842 1.171 -6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.144 0.237 -8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.175 -0.825 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.140 -1.232 -8.270 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.176 1.655 -8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.087 0.248 -8.744 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.775 1.632 -7.670 1.00 0.00 H new ATOM 1268 N PHE A 96 10.636 -2.308 -4.922 1.00 0.00 N ATOM 1269 CA PHE A 96 11.416 -2.883 -3.834 1.00 0.00 C ATOM 1270 C PHE A 96 12.190 -4.114 -4.288 1.00 0.00 C ATOM 1271 O PHE A 96 12.180 -4.476 -5.465 1.00 0.00 O ATOM 1272 CB PHE A 96 10.492 -3.255 -2.672 1.00 0.00 C ATOM 1273 CG PHE A 96 9.583 -4.413 -2.976 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.693 -4.353 -4.037 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.623 -5.563 -2.204 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.861 -5.417 -4.322 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.792 -6.632 -2.485 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.910 -6.559 -3.546 1.00 0.00 C ATOM 0 H PHE A 96 10.309 -2.982 -5.614 1.00 0.00 H new ATOM 0 HA PHE A 96 12.137 -2.133 -3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.098 -3.499 -1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.887 -2.388 -2.407 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.650 -3.463 -4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.311 -5.625 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.172 -5.357 -5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.832 -7.523 -1.876 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.260 -7.393 -3.768 1.00 0.00 H new ATOM 1288 N ASP A 97 12.849 -4.760 -3.332 1.00 0.00 N ATOM 1289 CA ASP A 97 13.623 -5.963 -3.601 1.00 0.00 C ATOM 1290 C ASP A 97 13.109 -7.113 -2.747 1.00 0.00 C ATOM 1291 O ASP A 97 12.522 -6.892 -1.688 1.00 0.00 O ATOM 1292 CB ASP A 97 15.106 -5.717 -3.316 1.00 0.00 C ATOM 1293 CG ASP A 97 15.916 -5.532 -4.584 1.00 0.00 C ATOM 1294 OD1 ASP A 97 15.727 -6.327 -5.530 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.739 -4.595 -4.631 1.00 0.00 O ATOM 0 H ASP A 97 12.861 -4.466 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 97 13.510 -6.224 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.211 -4.831 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.509 -6.557 -2.750 1.00 0.00 H new ATOM 1300 N GLU A 98 13.324 -8.340 -3.205 1.00 0.00 N ATOM 1301 CA GLU A 98 12.867 -9.511 -2.468 1.00 0.00 C ATOM 1302 C GLU A 98 13.695 -10.742 -2.816 1.00 0.00 C ATOM 1303 O GLU A 98 13.930 -11.031 -3.989 1.00 0.00 O ATOM 1304 CB GLU A 98 11.391 -9.779 -2.765 1.00 0.00 C ATOM 1305 CG GLU A 98 11.042 -9.683 -4.242 1.00 0.00 C ATOM 1306 CD GLU A 98 9.627 -10.143 -4.537 1.00 0.00 C ATOM 1307 OE1 GLU A 98 9.153 -11.079 -3.860 1.00 0.00 O ATOM 1308 OE2 GLU A 98 8.991 -9.564 -5.444 1.00 0.00 O ATOM 0 H GLU A 98 13.809 -8.549 -4.078 1.00 0.00 H new ATOM 0 HA GLU A 98 12.991 -9.305 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.130 -10.773 -2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.782 -9.067 -2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.162 -8.652 -4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.744 -10.286 -4.818 1.00 0.00 H new ATOM 1315 N GLN A 99 14.128 -11.470 -1.791 1.00 0.00 N ATOM 1316 CA GLN A 99 14.922 -12.678 -2.002 1.00 0.00 C ATOM 1317 C GLN A 99 14.041 -13.921 -1.936 1.00 0.00 C ATOM 1318 O GLN A 99 14.132 -14.712 -0.997 1.00 0.00 O ATOM 1319 CB GLN A 99 16.054 -12.779 -0.976 1.00 0.00 C ATOM 1320 CG GLN A 99 16.862 -14.065 -1.078 1.00 0.00 C ATOM 1321 CD GLN A 99 17.046 -14.748 0.264 1.00 0.00 C ATOM 1322 OE1 GLN A 99 16.483 -15.812 0.514 1.00 0.00 O ATOM 1323 NE2 GLN A 99 17.839 -14.134 1.135 1.00 0.00 N ATOM 0 H GLN A 99 13.945 -11.248 -0.813 1.00 0.00 H new ATOM 0 HA GLN A 99 15.365 -12.615 -2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.724 -11.929 -1.103 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.631 -12.705 0.026 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.363 -14.749 -1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.840 -13.842 -1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 99 18.286 -13.252 0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 99 18.001 -14.545 2.055 1.00 0.00 H new ATOM 1332 N ASP A 100 13.187 -14.085 -2.939 1.00 0.00 N ATOM 1333 CA ASP A 100 12.287 -15.231 -2.998 1.00 0.00 C ATOM 1334 C ASP A 100 11.743 -15.422 -4.410 1.00 0.00 C ATOM 1335 O ASP A 100 11.750 -14.443 -5.184 1.00 0.00 O ATOM 1336 CB ASP A 100 11.131 -15.048 -2.010 1.00 0.00 C ATOM 1337 CG ASP A 100 10.982 -16.228 -1.069 1.00 0.00 C ATOM 1338 OD1 ASP A 100 11.431 -17.337 -1.432 1.00 0.00 O ATOM 1339 OD2 ASP A 100 10.419 -16.044 0.030 1.00 0.00 O ATOM 1340 OXT ASP A 100 11.315 -16.552 -4.730 1.00 0.00 O ATOM 0 H ASP A 100 13.098 -13.439 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 100 12.852 -16.122 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.294 -14.141 -1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.202 -14.909 -2.563 1.00 0.00 H new TER 1345 ASP A 100