USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 596 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 31 THR OG1 : rot -121:sc= 0.856 USER MOD Set 1.2: B 131 THR OG1 : rot -72:sc= 1.58 USER MOD Set 2.1: A 14 TYR OH : rot 120:sc= -1.7! USER MOD Set 2.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: B 103 GLN : amide:sc= -0.302 X(o=-2,f=-2.2) USER MOD Set 3.1: A 11 SER OG : rot 72:sc= 0.281 USER MOD Set 3.2: A 15 GLN :FLIP amide:sc= -1.28! C(o=-2.4!,f=-1!) USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= 0.632 (180deg=-0.496!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -72:sc= -3.62! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0796 USER MOD Single : A 13 SER OG : rot 141:sc= -1.17 USER MOD Single : A 20 TYR OH : rot 165:sc= -0.298 USER MOD Single : A 23 ASN : amide:sc= -1.95 K(o=-1.9,f=-5.9!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0679 USER MOD Single : A 29 SER OG : rot 172:sc= 1.16 USER MOD Single : A 30 THR OG1 : rot 108:sc= 1.15 USER MOD Single : A 32 MET CE :methyl -145:sc= -19.4! (180deg=-23!) USER MOD Single : A 33 GLN : amide:sc= -2.28! C(o=-2.3!,f=-14!) USER MOD Single : A 34 ASN : amide:sc= -0.873 K(o=-0.87,f=-2.1!) USER MOD Single : B 102 LYS NZ :NH3+ -165:sc= -0.192 (180deg=-0.559) USER MOD Single : B 106 THR OG1 : rot -120:sc= -3.52! USER MOD Single : B 108 THR OG1 : rot 35:sc= 1.12 USER MOD Single : B 111 SER OG : rot -63:sc= -0.347 USER MOD Single : B 113 SER OG : rot -59:sc= 1.22 USER MOD Single : B 114 TYR OH : rot 0:sc= -2.13! USER MOD Single : B 115 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.2!) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 180:sc= -0.274 USER MOD Single : B 123 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.46) USER MOD Single : B 125 SER OG : rot 180:sc= -0.63 USER MOD Single : B 129 SER OG : rot 178:sc= 1.16 USER MOD Single : B 130 THR OG1 : rot 71:sc= 1.07 USER MOD Single : B 132 MET CE :methyl 149:sc= -15.7! (180deg=-19!) USER MOD Single : B 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 134 ASN : amide:sc= -0.0916 K(o=-0.092,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 5.185 -10.562 12.609 1.00 0.00 N ATOM 21 CA LYS A 2 4.739 -9.960 11.341 1.00 0.00 C ATOM 22 C LYS A 2 3.430 -10.575 10.830 1.00 0.00 C ATOM 23 O LYS A 2 3.379 -11.773 10.515 1.00 0.00 O ATOM 24 CB LYS A 2 5.837 -10.086 10.272 1.00 0.00 C ATOM 25 CG LYS A 2 6.752 -11.293 10.452 1.00 0.00 C ATOM 26 CD LYS A 2 7.007 -12.008 9.132 1.00 0.00 C ATOM 27 CE LYS A 2 5.732 -12.596 8.544 1.00 0.00 C ATOM 28 NZ LYS A 2 4.937 -13.349 9.560 1.00 0.00 N ATOM 0 HA LYS A 2 4.546 -8.906 11.539 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.367 -10.144 9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.443 -9.180 10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.701 -10.970 10.880 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.303 -11.988 11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.445 -11.309 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.735 -12.804 9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.122 -11.794 8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.987 -13.261 7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.261 -13.975 9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.577 -13.919 10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.418 -12.678 10.162 1.00 0.00 H new ATOM 42 N GLN A 3 2.380 -9.750 10.738 1.00 0.00 N ATOM 43 CA GLN A 3 1.072 -10.198 10.264 1.00 0.00 C ATOM 44 C GLN A 3 0.863 -9.814 8.810 1.00 0.00 C ATOM 45 O GLN A 3 0.914 -8.641 8.452 1.00 0.00 O ATOM 46 CB GLN A 3 -0.039 -9.606 11.140 1.00 0.00 C ATOM 47 CG GLN A 3 -1.430 -9.924 10.631 1.00 0.00 C ATOM 48 CD GLN A 3 -1.751 -11.405 10.661 1.00 0.00 C ATOM 49 OE1 GLN A 3 -1.788 -12.023 11.720 1.00 0.00 O ATOM 50 NE2 GLN A 3 -1.983 -11.982 9.488 1.00 0.00 N ATOM 0 H GLN A 3 2.415 -8.762 10.989 1.00 0.00 H new ATOM 0 HA GLN A 3 1.034 -11.285 10.335 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.066 -9.987 12.156 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.084 -8.524 11.191 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.162 -9.387 11.234 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.529 -9.558 9.609 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.942 -11.430 8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.202 -12.977 9.444 1.00 0.00 H new ATOM 59 N ARG A 4 0.652 -10.814 7.970 1.00 0.00 N ATOM 60 CA ARG A 4 0.487 -10.576 6.550 1.00 0.00 C ATOM 61 C ARG A 4 -0.904 -10.086 6.164 1.00 0.00 C ATOM 62 O ARG A 4 -1.884 -10.827 6.216 1.00 0.00 O ATOM 63 CB ARG A 4 0.811 -11.846 5.777 1.00 0.00 C ATOM 64 CG ARG A 4 1.754 -11.611 4.622 1.00 0.00 C ATOM 65 CD ARG A 4 2.166 -12.918 3.968 1.00 0.00 C ATOM 66 NE ARG A 4 3.364 -13.509 4.586 1.00 0.00 N ATOM 67 CZ ARG A 4 4.589 -13.015 4.465 1.00 0.00 C ATOM 68 NH1 ARG A 4 4.789 -11.887 3.823 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.615 -13.654 4.996 1.00 0.00 N ATOM 0 H ARG A 4 0.591 -11.794 8.248 1.00 0.00 H new ATOM 0 HA ARG A 4 1.180 -9.775 6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.252 -12.575 6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.115 -12.281 5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.274 -10.968 3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.640 -11.084 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.341 -13.628 4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.356 -12.745 2.909 1.00 0.00 H new ATOM 0 HE ARG A 4 3.244 -14.354 5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.000 -11.386 3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.733 -11.512 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.466 -14.528 5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.557 -13.273 4.902 1.00 0.00 H new ATOM 83 N ILE A 5 -0.950 -8.837 5.720 1.00 0.00 N ATOM 84 CA ILE A 5 -2.169 -8.218 5.242 1.00 0.00 C ATOM 85 C ILE A 5 -1.932 -7.869 3.799 1.00 0.00 C ATOM 86 O ILE A 5 -0.975 -7.167 3.484 1.00 0.00 O ATOM 87 CB ILE A 5 -2.554 -6.949 6.039 1.00 0.00 C ATOM 88 CG1 ILE A 5 -2.596 -5.693 5.148 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.617 -6.762 7.223 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.302 -4.905 5.075 1.00 0.00 C ATOM 0 H ILE A 5 -0.135 -8.225 5.683 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.001 -8.911 5.369 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.565 -7.092 6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.876 -5.993 4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.383 -5.034 5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.901 -5.865 7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.685 -7.628 7.881 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.593 -6.658 6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.438 -4.042 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.026 -4.566 6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.511 -5.540 4.676 1.00 0.00 H new ATOM 102 N THR A 6 -2.747 -8.374 2.909 1.00 0.00 N ATOM 103 CA THR A 6 -2.520 -8.089 1.516 1.00 0.00 C ATOM 104 C THR A 6 -3.768 -7.636 0.798 1.00 0.00 C ATOM 105 O THR A 6 -4.846 -8.199 0.974 1.00 0.00 O ATOM 106 CB THR A 6 -1.881 -9.293 0.810 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.314 -9.387 -0.532 1.00 0.00 O ATOM 108 CG2 THR A 6 -2.161 -10.619 1.472 1.00 0.00 C ATOM 0 H THR A 6 -3.551 -8.967 3.114 1.00 0.00 H new ATOM 0 HA THR A 6 -1.823 -7.252 1.477 1.00 0.00 H new ATOM 0 HB THR A 6 -0.809 -9.103 0.870 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.248 -9.683 -0.554 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.674 -11.416 0.911 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.776 -10.605 2.491 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.236 -10.795 1.493 1.00 0.00 H new ATOM 116 N VAL A 7 -3.578 -6.657 -0.078 1.00 0.00 N ATOM 117 CA VAL A 7 -4.640 -6.150 -0.926 1.00 0.00 C ATOM 118 C VAL A 7 -4.451 -6.778 -2.299 1.00 0.00 C ATOM 119 O VAL A 7 -3.491 -6.450 -3.006 1.00 0.00 O ATOM 120 CB VAL A 7 -4.652 -4.581 -1.001 1.00 0.00 C ATOM 121 CG1 VAL A 7 -3.702 -3.991 0.037 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.336 -4.035 -2.420 1.00 0.00 C ATOM 0 H VAL A 7 -2.680 -6.194 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.610 -6.420 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.670 -4.263 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.722 -2.903 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.015 -4.301 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.689 -4.347 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.360 -2.945 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.346 -4.372 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.080 -4.404 -3.126 1.00 0.00 H new ATOM 132 N THR A 8 -5.314 -7.710 -2.677 1.00 0.00 N ATOM 133 CA THR A 8 -5.171 -8.358 -3.973 1.00 0.00 C ATOM 134 C THR A 8 -5.510 -7.373 -5.074 1.00 0.00 C ATOM 135 O THR A 8 -6.515 -7.503 -5.767 1.00 0.00 O ATOM 136 CB THR A 8 -6.037 -9.604 -4.077 1.00 0.00 C ATOM 137 OG1 THR A 8 -7.187 -9.497 -3.263 1.00 0.00 O ATOM 138 CG2 THR A 8 -5.301 -10.856 -3.680 1.00 0.00 C ATOM 0 H THR A 8 -6.105 -8.030 -2.118 1.00 0.00 H new ATOM 0 HA THR A 8 -4.135 -8.678 -4.084 1.00 0.00 H new ATOM 0 HB THR A 8 -6.320 -9.677 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.726 -10.311 -3.350 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.966 -11.714 -3.773 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.438 -10.993 -4.332 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.965 -10.768 -2.647 1.00 0.00 H new ATOM 146 N VAL A 9 -4.652 -6.376 -5.200 1.00 0.00 N ATOM 147 CA VAL A 9 -4.816 -5.332 -6.183 1.00 0.00 C ATOM 148 C VAL A 9 -3.995 -5.658 -7.438 1.00 0.00 C ATOM 149 O VAL A 9 -4.000 -6.800 -7.892 1.00 0.00 O ATOM 150 CB VAL A 9 -4.440 -3.958 -5.560 1.00 0.00 C ATOM 151 CG1 VAL A 9 -2.946 -3.849 -5.277 1.00 0.00 C ATOM 152 CG2 VAL A 9 -4.918 -2.810 -6.427 1.00 0.00 C ATOM 0 H VAL A 9 -3.820 -6.272 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.859 -5.271 -6.492 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.955 -3.891 -4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.728 -2.873 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.650 -4.632 -4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.390 -3.964 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.639 -1.864 -5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.457 -2.881 -7.412 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.002 -2.858 -6.530 1.00 0.00 H new ATOM 162 N ASP A 10 -3.320 -4.667 -7.999 1.00 0.00 N ATOM 163 CA ASP A 10 -2.524 -4.810 -9.191 1.00 0.00 C ATOM 164 C ASP A 10 -2.219 -3.411 -9.680 1.00 0.00 C ATOM 165 O ASP A 10 -1.158 -2.869 -9.381 1.00 0.00 O ATOM 166 CB ASP A 10 -3.252 -5.634 -10.265 1.00 0.00 C ATOM 167 CG ASP A 10 -4.762 -5.433 -10.304 1.00 0.00 C ATOM 168 OD1 ASP A 10 -5.232 -4.318 -9.992 1.00 0.00 O ATOM 169 OD2 ASP A 10 -5.473 -6.393 -10.663 1.00 0.00 O ATOM 0 H ASP A 10 -3.316 -3.719 -7.622 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.605 -5.354 -8.974 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.839 -5.379 -11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.044 -6.691 -10.097 1.00 0.00 H new ATOM 174 N SER A 11 -3.154 -2.818 -10.411 1.00 0.00 N ATOM 175 CA SER A 11 -2.980 -1.475 -10.914 1.00 0.00 C ATOM 176 C SER A 11 -3.811 -0.451 -10.131 1.00 0.00 C ATOM 177 O SER A 11 -3.891 0.704 -10.559 1.00 0.00 O ATOM 178 CB SER A 11 -3.350 -1.415 -12.401 1.00 0.00 C ATOM 179 OG SER A 11 -2.400 -0.654 -13.133 1.00 0.00 O ATOM 0 H SER A 11 -4.041 -3.253 -10.666 1.00 0.00 H new ATOM 0 HA SER A 11 -1.929 -1.216 -10.785 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.402 -2.425 -12.807 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.340 -0.974 -12.515 1.00 0.00 H new ATOM 0 HG SER A 11 -1.565 -1.161 -13.212 1.00 0.00 H new ATOM 185 N ASP A 12 -4.430 -0.822 -8.980 1.00 0.00 N ATOM 186 CA ASP A 12 -5.203 0.169 -8.246 1.00 0.00 C ATOM 187 C ASP A 12 -4.246 1.028 -7.429 1.00 0.00 C ATOM 188 O ASP A 12 -4.204 0.968 -6.201 1.00 0.00 O ATOM 189 CB ASP A 12 -6.269 -0.504 -7.374 1.00 0.00 C ATOM 190 CG ASP A 12 -7.630 0.146 -7.514 1.00 0.00 C ATOM 191 OD1 ASP A 12 -8.200 0.094 -8.623 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.127 0.701 -6.512 1.00 0.00 O ATOM 0 H ASP A 12 -4.404 -1.756 -8.570 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.740 0.813 -8.942 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.344 -1.557 -7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.957 -0.465 -6.330 1.00 0.00 H new ATOM 197 N SER A 13 -3.455 1.820 -8.151 1.00 0.00 N ATOM 198 CA SER A 13 -2.455 2.722 -7.555 1.00 0.00 C ATOM 199 C SER A 13 -1.366 1.991 -6.740 1.00 0.00 C ATOM 200 O SER A 13 -0.240 2.484 -6.648 1.00 0.00 O ATOM 201 CB SER A 13 -3.143 3.756 -6.669 1.00 0.00 C ATOM 202 OG SER A 13 -4.330 4.239 -7.276 1.00 0.00 O ATOM 0 H SER A 13 -3.485 1.859 -9.170 1.00 0.00 H new ATOM 0 HA SER A 13 -1.951 3.207 -8.391 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.380 3.311 -5.702 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.464 4.587 -6.480 1.00 0.00 H new ATOM 0 HG SER A 13 -5.024 4.352 -6.593 1.00 0.00 H new ATOM 208 N TYR A 14 -1.690 0.823 -6.158 1.00 0.00 N ATOM 209 CA TYR A 14 -0.731 0.051 -5.365 1.00 0.00 C ATOM 210 C TYR A 14 0.618 -0.052 -6.079 1.00 0.00 C ATOM 211 O TYR A 14 1.654 0.348 -5.545 1.00 0.00 O ATOM 212 CB TYR A 14 -1.250 -1.367 -5.108 1.00 0.00 C ATOM 213 CG TYR A 14 -0.155 -2.419 -5.179 1.00 0.00 C ATOM 214 CD1 TYR A 14 0.807 -2.513 -4.183 1.00 0.00 C ATOM 215 CD2 TYR A 14 -0.077 -3.303 -6.249 1.00 0.00 C ATOM 216 CE1 TYR A 14 1.809 -3.454 -4.238 1.00 0.00 C ATOM 217 CE2 TYR A 14 0.924 -4.251 -6.314 1.00 0.00 C ATOM 218 CZ TYR A 14 1.863 -4.323 -5.306 1.00 0.00 C ATOM 219 OH TYR A 14 2.853 -5.269 -5.364 1.00 0.00 O ATOM 0 H TYR A 14 -2.614 0.396 -6.225 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.605 0.576 -4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.719 -1.404 -4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.023 -1.604 -5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.768 -1.832 -3.346 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.810 -3.247 -7.040 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.547 -3.511 -3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.972 -4.933 -7.150 1.00 0.00 H new ATOM 0 HH TYR A 14 2.451 -6.163 -5.383 1.00 0.00 H new ATOM 229 N GLN A 15 0.588 -0.649 -7.277 1.00 0.00 N ATOM 230 CA GLN A 15 1.793 -0.876 -8.064 1.00 0.00 C ATOM 231 C GLN A 15 2.674 0.379 -8.187 1.00 0.00 C ATOM 232 O GLN A 15 3.889 0.271 -8.164 1.00 0.00 O ATOM 233 CB GLN A 15 1.409 -1.355 -9.463 1.00 0.00 C ATOM 234 CG GLN A 15 0.302 -0.525 -10.093 1.00 0.00 C ATOM 235 CD GLN A 15 0.265 -0.637 -11.604 1.00 0.00 C ATOM 236 OE1 GLN A 15 -0.065 -1.819 -12.102 1.00 0.00 O flip ATOM 237 NE2 GLN A 15 0.527 0.329 -12.315 1.00 0.00 N flip ATOM 0 H GLN A 15 -0.268 -0.984 -7.720 1.00 0.00 H new ATOM 0 HA GLN A 15 2.375 -1.634 -7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.289 -1.324 -10.106 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.089 -2.396 -9.410 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.658 -0.842 -9.687 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.436 0.520 -9.815 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.777 1.222 -11.890 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.495 0.238 -13.330 1.00 0.00 H new ATOM 246 N LEU A 16 2.068 1.558 -8.331 1.00 0.00 N ATOM 247 CA LEU A 16 2.838 2.806 -8.468 1.00 0.00 C ATOM 248 C LEU A 16 3.750 3.058 -7.262 1.00 0.00 C ATOM 249 O LEU A 16 4.923 3.395 -7.418 1.00 0.00 O ATOM 250 CB LEU A 16 1.894 3.996 -8.644 1.00 0.00 C ATOM 251 CG LEU A 16 2.031 4.743 -9.972 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.685 5.288 -10.420 1.00 0.00 C ATOM 253 CD2 LEU A 16 3.048 5.868 -9.849 1.00 0.00 C ATOM 0 H LEU A 16 1.056 1.681 -8.356 1.00 0.00 H new ATOM 0 HA LEU A 16 3.468 2.696 -9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.867 3.643 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.066 4.700 -7.830 1.00 0.00 H new ATOM 0 HG LEU A 16 2.385 4.040 -10.726 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.803 5.816 -11.366 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.016 4.464 -10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.302 5.976 -9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.132 6.388 -10.803 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.723 6.570 -9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.018 5.453 -9.575 1.00 0.00 H new ATOM 265 N LEU A 17 3.192 2.894 -6.066 1.00 0.00 N ATOM 266 CA LEU A 17 3.962 3.112 -4.838 1.00 0.00 C ATOM 267 C LEU A 17 5.222 2.256 -4.829 1.00 0.00 C ATOM 268 O LEU A 17 6.330 2.744 -4.597 1.00 0.00 O ATOM 269 CB LEU A 17 3.126 2.817 -3.604 1.00 0.00 C ATOM 270 CG LEU A 17 2.794 4.039 -2.749 1.00 0.00 C ATOM 271 CD1 LEU A 17 4.005 4.462 -1.939 1.00 0.00 C ATOM 272 CD2 LEU A 17 2.309 5.184 -3.622 1.00 0.00 C ATOM 0 H LEU A 17 2.222 2.615 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 17 4.250 4.163 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.194 2.346 -3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.657 2.093 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 17 1.994 3.772 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.752 5.334 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.310 3.644 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.824 4.713 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.077 6.046 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.088 5.453 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.413 4.876 -4.162 1.00 0.00 H new ATOM 284 N LYS A 18 5.043 0.980 -5.108 1.00 0.00 N ATOM 285 CA LYS A 18 6.159 0.038 -5.158 1.00 0.00 C ATOM 286 C LYS A 18 6.964 0.232 -6.433 1.00 0.00 C ATOM 287 O LYS A 18 8.175 0.014 -6.463 1.00 0.00 O ATOM 288 CB LYS A 18 5.636 -1.389 -5.082 1.00 0.00 C ATOM 289 CG LYS A 18 4.569 -1.657 -6.114 1.00 0.00 C ATOM 290 CD LYS A 18 4.596 -3.101 -6.578 1.00 0.00 C ATOM 291 CE LYS A 18 4.211 -3.227 -8.042 1.00 0.00 C ATOM 292 NZ LYS A 18 4.855 -4.407 -8.685 1.00 0.00 N ATOM 0 H LYS A 18 4.133 0.564 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 18 6.812 0.225 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.462 -2.086 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.232 -1.574 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.590 -1.426 -5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.714 -0.996 -6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.594 -3.513 -6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.912 -3.692 -5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.128 -3.313 -8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.501 -2.320 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.568 -4.458 -9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.889 -4.313 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.558 -5.275 -8.194 1.00 0.00 H new ATOM 306 N ALA A 19 6.265 0.662 -7.473 1.00 0.00 N ATOM 307 CA ALA A 19 6.872 0.923 -8.772 1.00 0.00 C ATOM 308 C ALA A 19 7.958 1.978 -8.645 1.00 0.00 C ATOM 309 O ALA A 19 8.932 1.968 -9.400 1.00 0.00 O ATOM 310 CB ALA A 19 5.819 1.362 -9.780 1.00 0.00 C ATOM 0 H ALA A 19 5.261 0.840 -7.441 1.00 0.00 H new ATOM 0 HA ALA A 19 7.324 -0.001 -9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.294 1.552 -10.743 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.072 0.576 -9.892 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.336 2.273 -9.428 1.00 0.00 H new ATOM 316 N TYR A 20 7.796 2.878 -7.673 1.00 0.00 N ATOM 317 CA TYR A 20 8.778 3.910 -7.448 1.00 0.00 C ATOM 318 C TYR A 20 9.850 3.395 -6.482 1.00 0.00 C ATOM 319 O TYR A 20 11.032 3.553 -6.772 1.00 0.00 O ATOM 320 CB TYR A 20 8.111 5.238 -7.024 1.00 0.00 C ATOM 321 CG TYR A 20 7.768 5.428 -5.562 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.726 5.347 -4.561 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.468 5.747 -5.200 1.00 0.00 C ATOM 324 CE1 TYR A 20 8.389 5.566 -3.238 1.00 0.00 C ATOM 325 CE2 TYR A 20 6.124 5.975 -3.888 1.00 0.00 C ATOM 326 CZ TYR A 20 7.088 5.880 -2.907 1.00 0.00 C ATOM 327 OH TYR A 20 6.751 6.104 -1.592 1.00 0.00 O ATOM 0 H TYR A 20 6.997 2.904 -7.040 1.00 0.00 H new ATOM 0 HA TYR A 20 9.291 4.149 -8.379 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.772 6.053 -7.320 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.192 5.348 -7.599 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.748 5.110 -4.819 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.709 5.818 -5.965 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.142 5.491 -2.467 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.106 6.227 -3.628 1.00 0.00 H new ATOM 0 HH TYR A 20 5.875 6.542 -1.549 1.00 0.00 H new ATOM 337 N ASP A 21 9.434 2.714 -5.386 1.00 0.00 N ATOM 338 CA ASP A 21 10.392 2.102 -4.424 1.00 0.00 C ATOM 339 C ASP A 21 9.829 1.993 -3.004 1.00 0.00 C ATOM 340 O ASP A 21 10.585 2.004 -2.029 1.00 0.00 O ATOM 341 CB ASP A 21 11.726 2.866 -4.370 1.00 0.00 C ATOM 342 CG ASP A 21 12.873 2.080 -4.976 1.00 0.00 C ATOM 343 OD1 ASP A 21 12.979 0.865 -4.695 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.672 2.680 -5.721 1.00 0.00 O ATOM 0 H ASP A 21 8.453 2.574 -5.145 1.00 0.00 H new ATOM 0 HA ASP A 21 10.565 1.095 -4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.620 3.813 -4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.962 3.105 -3.333 1.00 0.00 H new ATOM 349 N VAL A 22 8.510 1.884 -2.883 1.00 0.00 N ATOM 350 CA VAL A 22 7.855 1.785 -1.585 1.00 0.00 C ATOM 351 C VAL A 22 6.468 1.195 -1.751 1.00 0.00 C ATOM 352 O VAL A 22 5.491 1.921 -1.909 1.00 0.00 O ATOM 353 CB VAL A 22 7.742 3.180 -0.938 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.908 3.137 0.335 1.00 0.00 C ATOM 355 CG2 VAL A 22 9.117 3.757 -0.651 1.00 0.00 C ATOM 0 H VAL A 22 7.869 1.862 -3.676 1.00 0.00 H new ATOM 0 HA VAL A 22 8.452 1.138 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 22 7.235 3.831 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.849 4.137 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.904 2.783 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.373 2.461 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.011 4.741 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.653 3.097 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.675 3.847 -1.583 1.00 0.00 H new ATOM 365 N ASN A 23 6.387 -0.129 -1.717 1.00 0.00 N ATOM 366 CA ASN A 23 5.102 -0.807 -1.857 1.00 0.00 C ATOM 367 C ASN A 23 4.136 -0.237 -0.816 1.00 0.00 C ATOM 368 O ASN A 23 3.393 0.703 -1.102 1.00 0.00 O ATOM 369 CB ASN A 23 5.260 -2.340 -1.729 1.00 0.00 C ATOM 370 CG ASN A 23 6.651 -2.832 -2.097 1.00 0.00 C ATOM 371 OD1 ASN A 23 6.930 -3.127 -3.252 1.00 0.00 O ATOM 372 ND2 ASN A 23 7.535 -2.918 -1.111 1.00 0.00 N ATOM 0 H ASN A 23 7.186 -0.751 -1.595 1.00 0.00 H new ATOM 0 HA ASN A 23 4.695 -0.628 -2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.036 -2.638 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.527 -2.829 -2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.484 -3.239 -1.303 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.266 -2.663 -0.161 1.00 0.00 H new ATOM 379 N ILE A 24 4.139 -0.798 0.383 1.00 0.00 N ATOM 380 CA ILE A 24 3.251 -0.297 1.425 1.00 0.00 C ATOM 381 C ILE A 24 3.713 -0.568 2.850 1.00 0.00 C ATOM 382 O ILE A 24 3.000 -0.195 3.781 1.00 0.00 O ATOM 383 CB ILE A 24 1.798 -0.800 1.285 1.00 0.00 C ATOM 384 CG1 ILE A 24 1.681 -1.823 0.171 1.00 0.00 C ATOM 385 CG2 ILE A 24 0.853 0.364 1.043 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.602 -2.989 0.380 1.00 0.00 C ATOM 0 H ILE A 24 4.731 -1.582 0.657 1.00 0.00 H new ATOM 0 HA ILE A 24 3.287 0.780 1.259 1.00 0.00 H new ATOM 0 HB ILE A 24 1.517 -1.286 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.653 -2.179 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.909 -1.348 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.167 -0.009 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.908 1.058 1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.139 0.880 0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.485 -3.697 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.633 -2.637 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.358 -3.482 1.321 1.00 0.00 H new ATOM 398 N SER A 25 4.842 -1.257 3.044 1.00 0.00 N ATOM 399 CA SER A 25 5.270 -1.592 4.405 1.00 0.00 C ATOM 400 C SER A 25 5.001 -0.440 5.384 1.00 0.00 C ATOM 401 O SER A 25 4.151 -0.556 6.281 1.00 0.00 O ATOM 402 CB SER A 25 6.758 -1.938 4.414 1.00 0.00 C ATOM 403 OG SER A 25 7.526 -0.863 3.894 1.00 0.00 O ATOM 0 H SER A 25 5.459 -1.585 2.301 1.00 0.00 H new ATOM 0 HA SER A 25 4.689 -2.454 4.732 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.078 -2.162 5.432 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.931 -2.836 3.821 1.00 0.00 H new ATOM 0 HG SER A 25 8.476 -1.102 3.909 1.00 0.00 H new ATOM 409 N GLY A 26 5.677 0.687 5.170 1.00 0.00 N ATOM 410 CA GLY A 26 5.464 1.858 6.009 1.00 0.00 C ATOM 411 C GLY A 26 4.298 2.696 5.520 1.00 0.00 C ATOM 412 O GLY A 26 3.734 3.497 6.270 1.00 0.00 O ATOM 0 H GLY A 26 6.369 0.811 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.279 1.541 7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.369 2.466 6.021 1.00 0.00 H new ATOM 416 N LEU A 27 3.938 2.505 4.249 1.00 0.00 N ATOM 417 CA LEU A 27 2.848 3.215 3.633 1.00 0.00 C ATOM 418 C LEU A 27 1.517 2.811 4.260 1.00 0.00 C ATOM 419 O LEU A 27 0.839 3.653 4.856 1.00 0.00 O ATOM 420 CB LEU A 27 2.845 2.917 2.139 1.00 0.00 C ATOM 421 CG LEU A 27 2.447 4.065 1.227 1.00 0.00 C ATOM 422 CD1 LEU A 27 1.472 3.556 0.189 1.00 0.00 C ATOM 423 CD2 LEU A 27 1.847 5.205 2.028 1.00 0.00 C ATOM 0 H LEU A 27 4.406 1.847 3.626 1.00 0.00 H new ATOM 0 HA LEU A 27 2.979 4.285 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.843 2.583 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.166 2.084 1.957 1.00 0.00 H new ATOM 0 HG LEU A 27 3.333 4.453 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.182 4.375 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.944 2.768 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.587 3.158 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.569 6.016 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.961 4.852 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.579 5.567 2.750 1.00 0.00 H new ATOM 435 N VAL A 28 1.142 1.520 4.156 1.00 0.00 N ATOM 436 CA VAL A 28 -0.103 1.067 4.755 1.00 0.00 C ATOM 437 C VAL A 28 -0.174 1.519 6.214 1.00 0.00 C ATOM 438 O VAL A 28 -1.068 2.259 6.584 1.00 0.00 O ATOM 439 CB VAL A 28 -0.261 -0.466 4.662 1.00 0.00 C ATOM 440 CG1 VAL A 28 -1.272 -0.964 5.677 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.688 -0.869 3.264 1.00 0.00 C ATOM 0 H VAL A 28 1.677 0.798 3.673 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.924 1.515 4.196 1.00 0.00 H new ATOM 0 HB VAL A 28 0.705 -0.921 4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.368 -2.047 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.937 -0.705 6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.239 -0.499 5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.795 -1.953 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.642 -0.399 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.066 -0.546 2.546 1.00 0.00 H new ATOM 451 N SER A 29 0.786 1.075 7.026 1.00 0.00 N ATOM 452 CA SER A 29 0.850 1.427 8.449 1.00 0.00 C ATOM 453 C SER A 29 0.732 2.930 8.719 1.00 0.00 C ATOM 454 O SER A 29 0.029 3.334 9.650 1.00 0.00 O ATOM 455 CB SER A 29 2.161 0.927 9.035 1.00 0.00 C ATOM 456 OG SER A 29 3.225 1.843 8.826 1.00 0.00 O ATOM 0 H SER A 29 1.541 0.462 6.719 1.00 0.00 H new ATOM 0 HA SER A 29 -0.008 0.949 8.921 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.037 0.755 10.104 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.416 -0.032 8.585 1.00 0.00 H new ATOM 0 HG SER A 29 4.013 1.550 9.330 1.00 0.00 H new ATOM 462 N THR A 30 1.394 3.759 7.911 1.00 0.00 N ATOM 463 CA THR A 30 1.319 5.201 8.097 1.00 0.00 C ATOM 464 C THR A 30 -0.083 5.644 7.790 1.00 0.00 C ATOM 465 O THR A 30 -0.740 6.308 8.598 1.00 0.00 O ATOM 466 CB THR A 30 2.293 5.945 7.186 1.00 0.00 C ATOM 467 OG1 THR A 30 3.631 5.641 7.522 1.00 0.00 O ATOM 468 CG2 THR A 30 2.122 7.449 7.253 1.00 0.00 C ATOM 0 H THR A 30 1.980 3.458 7.132 1.00 0.00 H new ATOM 0 HA THR A 30 1.590 5.432 9.127 1.00 0.00 H new ATOM 0 HB THR A 30 2.067 5.611 6.174 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.020 5.066 6.830 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.839 7.927 6.586 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.110 7.714 6.947 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.293 7.790 8.274 1.00 0.00 H new ATOM 476 N THR A 31 -0.548 5.246 6.615 1.00 0.00 N ATOM 477 CA THR A 31 -1.884 5.581 6.204 1.00 0.00 C ATOM 478 C THR A 31 -2.894 4.978 7.181 1.00 0.00 C ATOM 479 O THR A 31 -3.931 5.574 7.474 1.00 0.00 O ATOM 480 CB THR A 31 -2.167 5.108 4.786 1.00 0.00 C ATOM 481 OG1 THR A 31 -1.362 5.814 3.854 1.00 0.00 O ATOM 482 CG2 THR A 31 -3.607 5.306 4.399 1.00 0.00 C ATOM 0 H THR A 31 -0.017 4.695 5.941 1.00 0.00 H new ATOM 0 HA THR A 31 -1.980 6.667 6.212 1.00 0.00 H new ATOM 0 HB THR A 31 -1.936 4.043 4.765 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.937 6.283 3.214 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.761 4.954 3.379 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.247 4.743 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.858 6.365 4.459 1.00 0.00 H new ATOM 490 N MET A 32 -2.559 3.796 7.701 1.00 0.00 N ATOM 491 CA MET A 32 -3.399 3.100 8.658 1.00 0.00 C ATOM 492 C MET A 32 -3.483 3.874 9.951 1.00 0.00 C ATOM 493 O MET A 32 -4.560 4.241 10.374 1.00 0.00 O ATOM 494 CB MET A 32 -2.830 1.716 8.958 1.00 0.00 C ATOM 495 CG MET A 32 -2.924 0.748 7.805 1.00 0.00 C ATOM 496 SD MET A 32 -3.947 -0.669 8.199 1.00 0.00 S ATOM 497 CE MET A 32 -4.103 -1.401 6.597 1.00 0.00 C ATOM 0 H MET A 32 -1.698 3.301 7.467 1.00 0.00 H new ATOM 0 HA MET A 32 -4.393 3.005 8.221 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.784 1.820 9.247 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.357 1.296 9.815 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.334 1.260 6.934 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.924 0.409 7.534 1.00 0.00 H new ATOM 0 HE1 MET A 32 -5.094 -1.843 6.494 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.966 -0.636 5.833 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.346 -2.175 6.475 1.00 0.00 H new ATOM 507 N GLN A 33 -2.338 4.129 10.574 1.00 0.00 N ATOM 508 CA GLN A 33 -2.306 4.869 11.827 1.00 0.00 C ATOM 509 C GLN A 33 -3.116 6.160 11.718 1.00 0.00 C ATOM 510 O GLN A 33 -3.747 6.588 12.681 1.00 0.00 O ATOM 511 CB GLN A 33 -0.850 5.141 12.219 1.00 0.00 C ATOM 512 CG GLN A 33 -0.449 6.612 12.265 1.00 0.00 C ATOM 513 CD GLN A 33 -0.587 7.222 13.646 1.00 0.00 C ATOM 514 OE1 GLN A 33 -1.271 6.683 14.519 1.00 0.00 O ATOM 515 NE2 GLN A 33 0.058 8.361 13.856 1.00 0.00 N ATOM 0 H GLN A 33 -1.423 3.835 10.232 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.769 4.272 12.613 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.667 4.701 13.199 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.199 4.626 11.512 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.584 6.712 11.932 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.066 7.173 11.563 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.614 8.777 13.109 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.002 8.821 14.764 1.00 0.00 H new ATOM 524 N ASN A 34 -3.104 6.759 10.532 1.00 0.00 N ATOM 525 CA ASN A 34 -3.846 7.991 10.279 1.00 0.00 C ATOM 526 C ASN A 34 -5.339 7.699 10.089 1.00 0.00 C ATOM 527 O ASN A 34 -6.178 8.297 10.769 1.00 0.00 O ATOM 528 CB ASN A 34 -3.218 8.706 9.065 1.00 0.00 C ATOM 529 CG ASN A 34 -4.201 9.203 8.024 1.00 0.00 C ATOM 530 OD1 ASN A 34 -5.233 9.785 8.343 1.00 0.00 O ATOM 531 ND2 ASN A 34 -3.862 8.991 6.758 1.00 0.00 N ATOM 0 H ASN A 34 -2.586 6.410 9.726 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.778 8.657 11.139 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.636 9.554 9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.519 8.022 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.469 9.317 6.006 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.994 8.502 6.537 1.00 0.00 H new ATOM 538 N GLU A 35 -5.666 6.746 9.214 1.00 0.00 N ATOM 539 CA GLU A 35 -7.061 6.359 8.997 1.00 0.00 C ATOM 540 C GLU A 35 -7.599 5.602 10.216 1.00 0.00 C ATOM 541 O GLU A 35 -8.812 5.507 10.417 1.00 0.00 O ATOM 542 CB GLU A 35 -7.187 5.488 7.744 1.00 0.00 C ATOM 543 CG GLU A 35 -7.203 6.281 6.445 1.00 0.00 C ATOM 544 CD GLU A 35 -8.558 6.273 5.767 1.00 0.00 C ATOM 545 OE1 GLU A 35 -9.041 5.181 5.412 1.00 0.00 O ATOM 546 OE2 GLU A 35 -9.139 7.362 5.597 1.00 0.00 O ATOM 0 H GLU A 35 -4.990 6.232 8.649 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.650 7.265 8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.357 4.782 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.103 4.900 7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.911 7.311 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.459 5.868 5.764 1.00 0.00 H new ATOM 553 N ALA A 36 -6.674 5.086 11.035 1.00 0.00 N ATOM 554 CA ALA A 36 -6.993 4.346 12.251 1.00 0.00 C ATOM 555 C ALA A 36 -7.226 5.294 13.417 1.00 0.00 C ATOM 556 O ALA A 36 -8.219 5.177 14.130 1.00 0.00 O ATOM 557 CB ALA A 36 -5.853 3.387 12.586 1.00 0.00 C ATOM 0 H ALA A 36 -5.672 5.175 10.865 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.908 3.780 12.079 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.096 2.837 13.495 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.714 2.686 11.763 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.934 3.953 12.739 1.00 0.00 H new ATOM 563 N ARG A 37 -6.299 6.239 13.611 1.00 0.00 N ATOM 564 CA ARG A 37 -6.417 7.207 14.697 1.00 0.00 C ATOM 565 C ARG A 37 -7.708 7.976 14.593 1.00 0.00 C ATOM 566 O ARG A 37 -8.482 8.061 15.546 1.00 0.00 O ATOM 567 CB ARG A 37 -5.292 8.218 14.645 1.00 0.00 C ATOM 568 CG ARG A 37 -4.254 8.034 15.731 1.00 0.00 C ATOM 569 CD ARG A 37 -3.066 8.943 15.502 1.00 0.00 C ATOM 570 NE ARG A 37 -2.405 9.312 16.761 1.00 0.00 N ATOM 571 CZ ARG A 37 -1.515 8.553 17.400 1.00 0.00 C ATOM 572 NH1 ARG A 37 -1.114 7.399 16.894 1.00 0.00 N ATOM 573 NH2 ARG A 37 -1.012 8.965 18.548 1.00 0.00 N ATOM 0 H ARG A 37 -5.466 6.350 13.033 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.381 6.641 15.628 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.803 8.153 13.673 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.713 9.220 14.724 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.698 8.247 16.704 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.924 6.995 15.752 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.349 8.445 14.849 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.394 9.846 14.987 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.644 10.213 17.175 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.487 7.077 16.001 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.432 6.831 17.397 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.305 9.859 18.941 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.331 8.389 19.042 1.00 0.00 H new ATOM 587 N ARG A 38 -7.909 8.558 13.421 1.00 0.00 N ATOM 588 CA ARG A 38 -9.089 9.357 13.166 1.00 0.00 C ATOM 589 C ARG A 38 -10.381 8.545 13.350 1.00 0.00 C ATOM 590 O ARG A 38 -11.322 9.033 13.968 1.00 0.00 O ATOM 591 CB ARG A 38 -9.043 9.963 11.760 1.00 0.00 C ATOM 592 CG ARG A 38 -10.351 10.616 11.336 1.00 0.00 C ATOM 593 CD ARG A 38 -11.207 9.672 10.507 1.00 0.00 C ATOM 594 NE ARG A 38 -10.908 9.795 9.078 1.00 0.00 N ATOM 595 CZ ARG A 38 -10.466 8.809 8.302 1.00 0.00 C ATOM 596 NH1 ARG A 38 -10.341 7.574 8.761 1.00 0.00 N ATOM 597 NH2 ARG A 38 -10.173 9.063 7.043 1.00 0.00 N ATOM 0 H ARG A 38 -7.266 8.489 12.632 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.094 10.164 13.899 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.246 10.705 11.719 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.788 9.181 11.044 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.906 10.928 12.221 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.138 11.516 10.759 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.035 8.645 10.829 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.261 9.888 10.680 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.050 10.707 8.645 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.586 7.362 9.728 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.000 6.834 8.147 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.286 10.007 6.674 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.833 8.316 6.438 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.625 -10.929 -10.630 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.500 -9.848 -9.644 1.00 0.00 C ATOM 1186 C LYS B 102 -3.166 -9.935 -8.899 1.00 0.00 C ATOM 1187 O LYS B 102 -2.502 -10.974 -8.920 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.662 -9.890 -8.648 1.00 0.00 C ATOM 1189 CG LYS B 102 -6.424 -8.579 -8.572 1.00 0.00 C ATOM 1190 CD LYS B 102 -7.902 -8.792 -8.288 1.00 0.00 C ATOM 1191 CE LYS B 102 -8.634 -9.411 -9.469 1.00 0.00 C ATOM 1192 NZ LYS B 102 -8.270 -8.761 -10.763 1.00 0.00 N ATOM 0 HA LYS B 102 -4.532 -8.901 -10.182 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -6.349 -10.687 -8.932 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.277 -10.138 -7.659 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -5.992 -7.954 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.310 -8.039 -9.512 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.013 -9.437 -7.416 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -8.363 -7.836 -8.038 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.402 -10.475 -9.521 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.709 -9.327 -9.312 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.961 -9.028 -11.492 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.273 -7.728 -10.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.322 -9.074 -11.054 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.777 -8.841 -8.243 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.527 -8.799 -7.500 1.00 0.00 C ATOM 1208 C GLN B 103 -1.755 -8.754 -5.998 1.00 0.00 C ATOM 1209 O GLN B 103 -2.200 -7.745 -5.452 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.670 -7.588 -7.917 1.00 0.00 C ATOM 1211 CG GLN B 103 0.595 -7.453 -7.083 1.00 0.00 C ATOM 1212 CD GLN B 103 1.839 -7.157 -7.900 1.00 0.00 C ATOM 1213 OE1 GLN B 103 1.791 -6.447 -8.902 1.00 0.00 O ATOM 1214 NE2 GLN B 103 2.971 -7.681 -7.454 1.00 0.00 N ATOM 0 H GLN B 103 -3.313 -7.974 -8.214 1.00 0.00 H new ATOM 0 HA GLN B 103 -0.996 -9.720 -7.742 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.399 -7.684 -8.968 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.262 -6.678 -7.822 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.454 -6.657 -6.352 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.750 -8.375 -6.523 1.00 0.00 H new ATOM 0 HE21 GLN B 103 2.968 -8.265 -6.618 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.846 -7.500 -7.947 1.00 0.00 H new ATOM 1223 N ARG B 104 -1.410 -9.848 -5.329 1.00 0.00 N ATOM 1224 CA ARG B 104 -1.543 -9.913 -3.885 1.00 0.00 C ATOM 1225 C ARG B 104 -0.374 -9.168 -3.259 1.00 0.00 C ATOM 1226 O ARG B 104 0.741 -9.686 -3.176 1.00 0.00 O ATOM 1227 CB ARG B 104 -1.578 -11.367 -3.392 1.00 0.00 C ATOM 1228 CG ARG B 104 -2.337 -11.547 -2.079 1.00 0.00 C ATOM 1229 CD ARG B 104 -2.799 -12.987 -1.892 1.00 0.00 C ATOM 1230 NE ARG B 104 -4.184 -13.186 -2.343 1.00 0.00 N ATOM 1231 CZ ARG B 104 -4.552 -13.970 -3.357 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -3.665 -14.687 -4.021 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -5.819 -14.041 -3.708 1.00 0.00 N ATOM 0 H ARG B 104 -1.039 -10.694 -5.762 1.00 0.00 H new ATOM 0 HA ARG B 104 -2.484 -9.450 -3.590 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -2.039 -11.991 -4.158 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -0.556 -11.723 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.697 -11.258 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -3.201 -10.882 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -2.138 -13.654 -2.446 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -2.718 -13.260 -0.840 1.00 0.00 H new ATOM 0 HE ARG B 104 -4.919 -12.687 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -2.679 -14.647 -3.761 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -3.965 -15.281 -4.794 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -6.519 -13.496 -3.204 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -6.100 -14.641 -4.484 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.648 -7.954 -2.803 1.00 0.00 N ATOM 1248 CA ILE B 105 0.358 -7.125 -2.156 1.00 0.00 C ATOM 1249 C ILE B 105 0.156 -7.261 -0.671 1.00 0.00 C ATOM 1250 O ILE B 105 -0.907 -6.928 -0.167 1.00 0.00 O ATOM 1251 CB ILE B 105 0.241 -5.639 -2.587 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -0.535 -4.812 -1.549 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -0.437 -5.556 -3.944 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -0.619 -3.336 -1.869 1.00 0.00 C ATOM 0 H ILE B 105 -1.568 -7.518 -2.870 1.00 0.00 H new ATOM 0 HA ILE B 105 1.355 -7.454 -2.449 1.00 0.00 H new ATOM 0 HB ILE B 105 1.245 -5.220 -2.655 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -1.545 -5.212 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -0.061 -4.935 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.519 -4.512 -4.246 1.00 0.00 H new ATOM 0 HG22 ILE B 105 0.154 -6.102 -4.680 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -1.433 -5.995 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -1.182 -2.826 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE B 105 0.386 -2.918 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -1.122 -3.199 -2.827 1.00 0.00 H new ATOM 1266 N THR B 106 1.126 -7.808 0.023 1.00 0.00 N ATOM 1267 CA THR B 106 0.960 -8.032 1.446 1.00 0.00 C ATOM 1268 C THR B 106 1.934 -7.212 2.286 1.00 0.00 C ATOM 1269 O THR B 106 3.151 -7.345 2.151 1.00 0.00 O ATOM 1270 CB THR B 106 1.066 -9.548 1.744 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.168 -9.848 2.585 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.201 -10.416 0.504 1.00 0.00 C ATOM 0 H THR B 106 2.024 -8.103 -0.362 1.00 0.00 H new ATOM 0 HA THR B 106 -0.033 -7.685 1.734 1.00 0.00 H new ATOM 0 HB THR B 106 0.122 -9.780 2.236 1.00 0.00 H new ATOM 0 HG1 THR B 106 2.776 -10.461 2.121 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.270 -11.463 0.799 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.329 -10.275 -0.135 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.101 -10.133 -0.042 1.00 0.00 H new ATOM 1280 N VAL B 107 1.383 -6.420 3.220 1.00 0.00 N ATOM 1281 CA VAL B 107 2.191 -5.653 4.161 1.00 0.00 C ATOM 1282 C VAL B 107 2.198 -6.412 5.487 1.00 0.00 C ATOM 1283 O VAL B 107 1.236 -6.342 6.249 1.00 0.00 O ATOM 1284 CB VAL B 107 1.680 -4.180 4.374 1.00 0.00 C ATOM 1285 CG1 VAL B 107 1.559 -3.806 5.863 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.599 -3.215 3.663 1.00 0.00 C ATOM 0 H VAL B 107 0.377 -6.299 3.338 1.00 0.00 H new ATOM 0 HA VAL B 107 3.195 -5.553 3.750 1.00 0.00 H new ATOM 0 HB VAL B 107 0.678 -4.116 3.951 1.00 0.00 H new ATOM 0 HG11 VAL B 107 1.203 -2.780 5.953 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.854 -4.479 6.351 1.00 0.00 H new ATOM 0 HG13 VAL B 107 2.535 -3.894 6.341 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.242 -2.196 3.812 1.00 0.00 H new ATOM 0 HG22 VAL B 107 3.608 -3.309 4.066 1.00 0.00 H new ATOM 0 HG23 VAL B 107 2.611 -3.442 2.597 1.00 0.00 H new ATOM 1296 N THR B 108 3.250 -7.173 5.753 1.00 0.00 N ATOM 1297 CA THR B 108 3.320 -7.941 6.985 1.00 0.00 C ATOM 1298 C THR B 108 3.507 -7.010 8.177 1.00 0.00 C ATOM 1299 O THR B 108 4.617 -6.548 8.446 1.00 0.00 O ATOM 1300 CB THR B 108 4.443 -8.962 6.915 1.00 0.00 C ATOM 1301 OG1 THR B 108 5.711 -8.346 6.859 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.328 -9.888 5.740 1.00 0.00 C ATOM 0 H THR B 108 4.058 -7.274 5.139 1.00 0.00 H new ATOM 0 HA THR B 108 2.381 -8.480 7.114 1.00 0.00 H new ATOM 0 HB THR B 108 4.345 -9.542 7.832 1.00 0.00 H new ATOM 0 HG1 THR B 108 5.702 -7.529 7.400 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.160 -10.592 5.749 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.388 -10.437 5.800 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.352 -9.309 4.817 1.00 0.00 H new ATOM 1310 N VAL B 109 2.408 -6.713 8.861 1.00 0.00 N ATOM 1311 CA VAL B 109 2.431 -5.800 10.000 1.00 0.00 C ATOM 1312 C VAL B 109 2.711 -6.509 11.333 1.00 0.00 C ATOM 1313 O VAL B 109 3.714 -7.200 11.447 1.00 0.00 O ATOM 1314 CB VAL B 109 1.130 -4.979 10.071 1.00 0.00 C ATOM 1315 CG1 VAL B 109 1.318 -3.748 10.946 1.00 0.00 C ATOM 1316 CG2 VAL B 109 0.702 -4.572 8.674 1.00 0.00 C ATOM 0 H VAL B 109 1.486 -7.092 8.646 1.00 0.00 H new ATOM 0 HA VAL B 109 3.265 -5.118 9.835 1.00 0.00 H new ATOM 0 HB VAL B 109 0.351 -5.597 10.517 1.00 0.00 H new ATOM 0 HG11 VAL B 109 0.387 -3.182 10.983 1.00 0.00 H new ATOM 0 HG12 VAL B 109 1.595 -4.057 11.954 1.00 0.00 H new ATOM 0 HG13 VAL B 109 2.107 -3.122 10.529 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -0.219 -3.992 8.730 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.485 -3.968 8.215 1.00 0.00 H new ATOM 0 HG23 VAL B 109 0.532 -5.464 8.071 1.00 0.00 H new ATOM 1326 N ASP B 110 1.879 -6.266 12.364 1.00 0.00 N ATOM 1327 CA ASP B 110 2.099 -6.809 13.713 1.00 0.00 C ATOM 1328 C ASP B 110 3.042 -5.860 14.465 1.00 0.00 C ATOM 1329 O ASP B 110 3.228 -5.960 15.678 1.00 0.00 O ATOM 1330 CB ASP B 110 2.662 -8.240 13.680 1.00 0.00 C ATOM 1331 CG ASP B 110 2.579 -8.939 15.028 1.00 0.00 C ATOM 1332 OD1 ASP B 110 1.454 -9.218 15.488 1.00 0.00 O ATOM 1333 OD2 ASP B 110 3.646 -9.226 15.617 1.00 0.00 O ATOM 0 H ASP B 110 1.041 -5.691 12.283 1.00 0.00 H new ATOM 0 HA ASP B 110 1.142 -6.875 14.230 1.00 0.00 H new ATOM 0 HB2 ASP B 110 2.115 -8.823 12.939 1.00 0.00 H new ATOM 0 HB3 ASP B 110 3.702 -8.209 13.356 1.00 0.00 H new ATOM 1338 N SER B 111 3.609 -4.911 13.710 1.00 0.00 N ATOM 1339 CA SER B 111 4.505 -3.901 14.238 1.00 0.00 C ATOM 1340 C SER B 111 4.080 -2.517 13.738 1.00 0.00 C ATOM 1341 O SER B 111 3.763 -1.644 14.542 1.00 0.00 O ATOM 1342 CB SER B 111 5.945 -4.211 13.819 1.00 0.00 C ATOM 1343 OG SER B 111 6.140 -3.985 12.430 1.00 0.00 O ATOM 0 H SER B 111 3.450 -4.831 12.706 1.00 0.00 H new ATOM 0 HA SER B 111 4.454 -3.906 15.327 1.00 0.00 H new ATOM 0 HB2 SER B 111 6.634 -3.589 14.391 1.00 0.00 H new ATOM 0 HB3 SER B 111 6.180 -5.249 14.057 1.00 0.00 H new ATOM 0 HG SER B 111 5.572 -4.596 11.916 1.00 0.00 H new ATOM 1349 N ASP B 112 4.100 -2.324 12.405 1.00 0.00 N ATOM 1350 CA ASP B 112 3.745 -1.052 11.781 1.00 0.00 C ATOM 1351 C ASP B 112 2.540 -0.346 12.463 1.00 0.00 C ATOM 1352 O ASP B 112 2.724 0.424 13.408 1.00 0.00 O ATOM 1353 CB ASP B 112 3.492 -1.326 10.301 1.00 0.00 C ATOM 1354 CG ASP B 112 4.680 -0.958 9.430 1.00 0.00 C ATOM 1355 OD1 ASP B 112 5.039 0.240 9.385 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.250 -1.871 8.797 1.00 0.00 O ATOM 0 H ASP B 112 4.364 -3.050 11.738 1.00 0.00 H new ATOM 0 HA ASP B 112 4.569 -0.349 11.903 1.00 0.00 H new ATOM 0 HB2 ASP B 112 3.259 -2.382 10.165 1.00 0.00 H new ATOM 0 HB3 ASP B 112 2.618 -0.762 9.975 1.00 0.00 H new ATOM 1361 N SER B 113 1.315 -0.590 11.971 1.00 0.00 N ATOM 1362 CA SER B 113 0.088 0.027 12.530 1.00 0.00 C ATOM 1363 C SER B 113 -1.120 -0.267 11.614 1.00 0.00 C ATOM 1364 O SER B 113 -1.980 0.583 11.384 1.00 0.00 O ATOM 1365 CB SER B 113 0.267 1.542 12.697 1.00 0.00 C ATOM 1366 OG SER B 113 -0.956 2.161 13.054 1.00 0.00 O ATOM 0 H SER B 113 1.141 -1.213 11.182 1.00 0.00 H new ATOM 0 HA SER B 113 -0.097 -0.407 13.513 1.00 0.00 H new ATOM 0 HB2 SER B 113 1.017 1.741 13.463 1.00 0.00 H new ATOM 0 HB3 SER B 113 0.639 1.973 11.767 1.00 0.00 H new ATOM 0 HG SER B 113 -1.628 1.980 12.364 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.140 -1.494 11.102 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.180 -1.992 10.194 1.00 0.00 C ATOM 1374 C TYR B 114 -3.435 -2.526 10.904 1.00 0.00 C ATOM 1375 O TYR B 114 -4.563 -2.290 10.461 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.567 -3.079 9.342 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.396 -4.323 9.229 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.381 -4.414 8.275 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -2.172 -5.402 10.062 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.132 -5.557 8.139 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -2.909 -6.553 9.941 1.00 0.00 C ATOM 1382 CZ TYR B 114 -3.889 -6.635 8.975 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.624 -7.792 8.848 1.00 0.00 O ATOM 0 H TYR B 114 -0.421 -2.188 11.308 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.525 -1.149 9.595 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.391 -2.683 8.342 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.594 -3.343 9.757 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -3.568 -3.574 7.622 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -1.405 -5.339 10.820 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.905 -5.614 7.387 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -2.723 -7.389 10.598 1.00 0.00 H new ATOM 0 HH TYR B 114 -5.270 -7.691 8.118 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.225 -3.322 11.951 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.332 -3.978 12.652 1.00 0.00 C ATOM 1395 C GLN B 115 -5.483 -3.028 13.011 1.00 0.00 C ATOM 1396 O GLN B 115 -6.636 -3.445 12.976 1.00 0.00 O ATOM 1397 CB GLN B 115 -3.822 -4.697 13.909 1.00 0.00 C ATOM 1398 CG GLN B 115 -2.509 -5.455 13.708 1.00 0.00 C ATOM 1399 CD GLN B 115 -1.379 -4.963 14.599 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -0.588 -5.758 15.093 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -1.290 -3.655 14.804 1.00 0.00 N ATOM 0 H GLN B 115 -2.302 -3.529 12.333 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.743 -4.706 11.953 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -3.687 -3.964 14.704 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.585 -5.398 14.248 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -2.678 -6.514 13.901 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.204 -5.366 12.665 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.968 -3.024 14.375 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -0.544 -3.280 15.390 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.194 -1.771 13.345 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.257 -0.813 13.692 1.00 0.00 C ATOM 1412 C LEU B 116 -7.232 -0.604 12.523 1.00 0.00 C ATOM 1413 O LEU B 116 -8.440 -0.786 12.669 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.649 0.537 14.083 1.00 0.00 C ATOM 1415 CG LEU B 116 -5.951 1.010 15.507 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.911 2.023 15.963 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.346 1.611 15.582 1.00 0.00 C ATOM 0 H LEU B 116 -4.248 -1.391 13.384 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.808 -1.230 14.535 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.568 0.477 13.961 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -6.008 1.293 13.384 1.00 0.00 H new ATOM 0 HG LEU B 116 -5.909 0.148 16.173 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.141 2.349 16.977 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -3.923 1.563 15.945 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.923 2.883 15.294 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -7.545 1.942 16.601 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.412 2.462 14.904 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.082 0.860 15.294 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.688 -0.193 11.379 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.505 0.078 10.186 1.00 0.00 C ATOM 1431 C LEU B 117 -8.507 -1.045 9.908 1.00 0.00 C ATOM 1432 O LEU B 117 -9.701 -0.802 9.704 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.614 0.288 8.972 1.00 0.00 C ATOM 1434 CG LEU B 117 -6.443 1.739 8.526 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -5.976 1.793 7.090 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -7.738 2.506 8.675 1.00 0.00 C ATOM 0 H LEU B 117 -5.688 -0.039 11.248 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.073 0.987 10.383 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.629 -0.126 9.190 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -7.023 -0.284 8.139 1.00 0.00 H new ATOM 0 HG LEU B 117 -5.691 2.203 9.165 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -5.858 2.833 6.785 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -5.020 1.277 6.999 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -6.713 1.308 6.449 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -7.590 3.536 8.351 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -8.509 2.040 8.062 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -8.049 2.495 9.720 1.00 0.00 H new ATOM 1448 N LYS B 118 -8.018 -2.269 9.920 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.860 -3.437 9.684 1.00 0.00 C ATOM 1450 C LYS B 118 -9.682 -3.766 10.924 1.00 0.00 C ATOM 1451 O LYS B 118 -10.771 -4.334 10.836 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.992 -4.620 9.291 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.912 -4.899 10.310 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.670 -6.389 10.449 1.00 0.00 C ATOM 1455 CE LYS B 118 -5.993 -6.733 11.765 1.00 0.00 C ATOM 1456 NZ LYS B 118 -6.436 -8.060 12.283 1.00 0.00 N ATOM 0 H LYS B 118 -7.036 -2.487 10.091 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.551 -3.217 8.870 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.618 -5.505 9.176 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.533 -4.426 8.322 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -5.988 -4.403 10.012 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.201 -4.482 11.275 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.620 -6.919 10.380 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -6.051 -6.735 9.621 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -4.912 -6.739 11.627 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -6.217 -5.962 12.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -5.953 -8.261 13.182 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -7.464 -8.047 12.438 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -6.200 -8.799 11.591 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.151 -3.369 12.073 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.819 -3.571 13.351 1.00 0.00 C ATOM 1472 C ALA B 119 -11.119 -2.783 13.380 1.00 0.00 C ATOM 1473 O ALA B 119 -12.088 -3.198 14.015 1.00 0.00 O ATOM 1474 CB ALA B 119 -8.918 -3.165 14.508 1.00 0.00 C ATOM 0 H ALA B 119 -8.248 -2.900 12.145 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.044 -4.632 13.464 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.441 -3.326 15.451 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.009 -3.767 14.490 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.657 -2.111 14.413 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.147 -1.653 12.665 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.347 -0.852 12.601 1.00 0.00 C ATOM 1482 C TYR B 120 -13.230 -1.335 11.454 1.00 0.00 C ATOM 1483 O TYR B 120 -14.435 -1.462 11.649 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.027 0.661 12.562 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.715 1.300 11.222 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.466 1.058 10.075 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.656 2.189 11.127 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -12.156 1.675 8.879 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.346 2.810 9.942 1.00 0.00 C ATOM 1490 CZ TYR B 120 -11.095 2.549 8.819 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.783 3.166 7.632 1.00 0.00 O ATOM 0 H TYR B 120 -10.357 -1.287 12.133 1.00 0.00 H new ATOM 0 HA TYR B 120 -12.921 -0.986 13.518 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -12.877 1.191 12.992 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.176 0.837 13.220 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.303 0.378 10.121 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -10.062 2.398 12.004 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -12.743 1.473 7.995 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.517 3.501 9.892 1.00 0.00 H new ATOM 0 HH TYR B 120 -10.008 3.752 7.762 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.623 -1.664 10.281 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.389 -2.205 9.130 1.00 0.00 C ATOM 1503 C ASP B 121 -12.752 -1.913 7.761 1.00 0.00 C ATOM 1504 O ASP B 121 -13.466 -1.847 6.758 1.00 0.00 O ATOM 1505 CB ASP B 121 -14.835 -1.676 9.115 1.00 0.00 C ATOM 1506 CG ASP B 121 -15.855 -2.727 9.518 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -15.680 -3.909 9.144 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.836 -2.366 10.197 1.00 0.00 O ATOM 0 H ASP B 121 -11.622 -1.565 10.111 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.378 -3.285 9.280 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -14.912 -0.825 9.791 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.072 -1.311 8.116 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.436 -1.723 7.683 1.00 0.00 N ATOM 1514 CA VAL B 122 -10.825 -1.423 6.388 1.00 0.00 C ATOM 1515 C VAL B 122 -9.538 -2.213 6.108 1.00 0.00 C ATOM 1516 O VAL B 122 -8.419 -1.722 6.277 1.00 0.00 O ATOM 1517 CB VAL B 122 -10.620 0.108 6.252 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -9.278 0.575 6.791 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -10.804 0.551 4.809 1.00 0.00 C ATOM 0 H VAL B 122 -10.790 -1.769 8.471 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.518 -1.759 5.617 1.00 0.00 H new ATOM 0 HB VAL B 122 -11.385 0.580 6.868 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -9.192 1.655 6.668 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -9.203 0.323 7.849 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -8.475 0.083 6.243 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -10.656 1.628 4.737 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -10.077 0.042 4.177 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -11.812 0.301 4.477 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.703 -3.469 5.684 1.00 0.00 N ATOM 1530 CA ASN B 123 -8.546 -4.326 5.379 1.00 0.00 C ATOM 1531 C ASN B 123 -7.781 -3.827 4.144 1.00 0.00 C ATOM 1532 O ASN B 123 -7.543 -4.575 3.199 1.00 0.00 O ATOM 1533 CB ASN B 123 -8.933 -5.797 5.186 1.00 0.00 C ATOM 1534 CG ASN B 123 -10.417 -6.019 4.945 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -10.900 -5.924 3.821 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -11.150 -6.315 6.006 1.00 0.00 N ATOM 0 H ASN B 123 -10.611 -3.913 5.545 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.894 -4.263 6.250 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -8.374 -6.201 4.342 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -8.630 -6.361 6.069 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -12.153 -6.473 5.905 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -10.712 -6.385 6.925 1.00 0.00 H new ATOM 1543 N ILE B 124 -7.407 -2.554 4.201 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.654 -1.815 3.198 1.00 0.00 C ATOM 1545 C ILE B 124 -7.009 -2.008 1.724 1.00 0.00 C ATOM 1546 O ILE B 124 -6.451 -1.290 0.893 1.00 0.00 O ATOM 1547 CB ILE B 124 -5.159 -2.003 3.363 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.865 -3.071 4.376 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.494 -0.705 3.738 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -5.008 -4.404 3.743 1.00 0.00 C ATOM 0 H ILE B 124 -7.639 -1.972 5.006 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.972 -0.797 3.422 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.749 -2.325 2.406 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.855 -2.948 4.767 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -5.547 -2.983 5.222 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -3.422 -0.865 3.851 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.670 0.033 2.956 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.908 -0.343 4.679 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.795 -5.180 4.478 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -6.026 -4.524 3.374 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.308 -4.489 2.912 1.00 0.00 H new ATOM 1562 N SER B 125 -7.851 -2.973 1.373 1.00 0.00 N ATOM 1563 CA SER B 125 -8.156 -3.221 -0.037 1.00 0.00 C ATOM 1564 C SER B 125 -8.256 -1.896 -0.821 1.00 0.00 C ATOM 1565 O SER B 125 -7.427 -1.623 -1.707 1.00 0.00 O ATOM 1566 CB SER B 125 -9.450 -4.043 -0.155 1.00 0.00 C ATOM 1567 OG SER B 125 -10.538 -3.261 -0.631 1.00 0.00 O ATOM 0 H SER B 125 -8.329 -3.589 2.030 1.00 0.00 H new ATOM 0 HA SER B 125 -7.342 -3.796 -0.478 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.285 -4.883 -0.830 1.00 0.00 H new ATOM 0 HB3 SER B 125 -9.703 -4.461 0.819 1.00 0.00 H new ATOM 0 HG SER B 125 -11.340 -3.820 -0.693 1.00 0.00 H new ATOM 1573 N GLY B 126 -9.230 -1.057 -0.457 1.00 0.00 N ATOM 1574 CA GLY B 126 -9.387 0.240 -1.106 1.00 0.00 C ATOM 1575 C GLY B 126 -8.512 1.317 -0.484 1.00 0.00 C ATOM 1576 O GLY B 126 -8.131 2.278 -1.157 1.00 0.00 O ATOM 0 H GLY B 126 -9.913 -1.253 0.275 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -9.142 0.144 -2.164 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -10.431 0.547 -1.047 1.00 0.00 H new ATOM 1580 N LEU B 127 -8.185 1.150 0.798 1.00 0.00 N ATOM 1581 CA LEU B 127 -7.345 2.088 1.520 1.00 0.00 C ATOM 1582 C LEU B 127 -5.979 2.207 0.848 1.00 0.00 C ATOM 1583 O LEU B 127 -5.602 3.283 0.379 1.00 0.00 O ATOM 1584 CB LEU B 127 -7.182 1.602 2.956 1.00 0.00 C ATOM 1585 CG LEU B 127 -6.762 2.647 3.976 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -5.340 2.365 4.415 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -6.897 4.046 3.402 1.00 0.00 C ATOM 0 H LEU B 127 -8.498 0.358 1.359 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.814 3.072 1.515 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -8.128 1.168 3.280 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -6.444 0.800 2.964 1.00 0.00 H new ATOM 0 HG LEU B 127 -7.418 2.593 4.845 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -5.031 3.111 5.147 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -5.288 1.373 4.863 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.677 2.408 3.551 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -6.591 4.777 4.150 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -6.262 4.141 2.521 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -7.935 4.226 3.122 1.00 0.00 H new ATOM 1599 N VAL B 128 -5.249 1.083 0.791 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.936 1.057 0.150 1.00 0.00 C ATOM 1601 C VAL B 128 -4.025 1.740 -1.216 1.00 0.00 C ATOM 1602 O VAL B 128 -3.438 2.792 -1.425 1.00 0.00 O ATOM 1603 CB VAL B 128 -3.415 -0.394 0.004 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -2.377 -0.510 -1.101 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.836 -0.878 1.323 1.00 0.00 C ATOM 0 H VAL B 128 -5.547 0.188 1.180 1.00 0.00 H new ATOM 0 HA VAL B 128 -3.227 1.597 0.777 1.00 0.00 H new ATOM 0 HB VAL B 128 -4.261 -1.025 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -2.036 -1.543 -1.173 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.820 -0.208 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -1.530 0.137 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -2.473 -1.899 1.208 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -2.010 -0.230 1.617 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -3.609 -0.852 2.091 1.00 0.00 H new ATOM 1615 N SER B 129 -4.804 1.148 -2.116 1.00 0.00 N ATOM 1616 CA SER B 129 -5.015 1.698 -3.459 1.00 0.00 C ATOM 1617 C SER B 129 -5.356 3.202 -3.421 1.00 0.00 C ATOM 1618 O SER B 129 -4.932 3.953 -4.306 1.00 0.00 O ATOM 1619 CB SER B 129 -6.157 0.934 -4.142 1.00 0.00 C ATOM 1620 OG SER B 129 -7.229 1.799 -4.498 1.00 0.00 O ATOM 0 H SER B 129 -5.306 0.278 -1.940 1.00 0.00 H new ATOM 0 HA SER B 129 -4.087 1.583 -4.019 1.00 0.00 H new ATOM 0 HB2 SER B 129 -5.779 0.436 -5.035 1.00 0.00 H new ATOM 0 HB3 SER B 129 -6.524 0.155 -3.474 1.00 0.00 H new ATOM 0 HG SER B 129 -7.925 1.285 -4.959 1.00 0.00 H new ATOM 1626 N THR B 130 -6.087 3.652 -2.395 1.00 0.00 N ATOM 1627 CA THR B 130 -6.428 5.065 -2.274 1.00 0.00 C ATOM 1628 C THR B 130 -5.197 5.845 -1.881 1.00 0.00 C ATOM 1629 O THR B 130 -4.835 6.827 -2.531 1.00 0.00 O ATOM 1630 CB THR B 130 -7.524 5.295 -1.230 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.713 4.619 -1.591 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.868 6.760 -1.038 1.00 0.00 C ATOM 0 H THR B 130 -6.448 3.062 -1.646 1.00 0.00 H new ATOM 0 HA THR B 130 -6.803 5.404 -3.240 1.00 0.00 H new ATOM 0 HB THR B 130 -7.119 4.906 -0.296 1.00 0.00 H new ATOM 0 HG1 THR B 130 -8.584 3.653 -1.488 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.651 6.854 -0.285 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.981 7.302 -0.709 1.00 0.00 H new ATOM 0 HG23 THR B 130 -8.219 7.178 -1.981 1.00 0.00 H new ATOM 1640 N THR B 131 -4.549 5.402 -0.806 1.00 0.00 N ATOM 1641 CA THR B 131 -3.355 6.072 -0.338 1.00 0.00 C ATOM 1642 C THR B 131 -2.260 6.020 -1.406 1.00 0.00 C ATOM 1643 O THR B 131 -1.582 7.015 -1.669 1.00 0.00 O ATOM 1644 CB THR B 131 -2.866 5.492 0.995 1.00 0.00 C ATOM 1645 OG1 THR B 131 -2.565 6.542 1.904 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.626 4.632 0.883 1.00 0.00 C ATOM 0 H THR B 131 -4.832 4.592 -0.254 1.00 0.00 H new ATOM 0 HA THR B 131 -3.605 7.117 -0.156 1.00 0.00 H new ATOM 0 HB THR B 131 -3.684 4.862 1.344 1.00 0.00 H new ATOM 0 HG1 THR B 131 -1.744 6.995 1.620 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.349 4.263 1.870 1.00 0.00 H new ATOM 0 HG22 THR B 131 -1.827 3.788 0.223 1.00 0.00 H new ATOM 0 HG23 THR B 131 -0.808 5.225 0.475 1.00 0.00 H new ATOM 1654 N MET B 132 -2.117 4.851 -2.036 1.00 0.00 N ATOM 1655 CA MET B 132 -1.134 4.641 -3.090 1.00 0.00 C ATOM 1656 C MET B 132 -1.242 5.699 -4.178 1.00 0.00 C ATOM 1657 O MET B 132 -0.254 6.309 -4.531 1.00 0.00 O ATOM 1658 CB MET B 132 -1.310 3.252 -3.700 1.00 0.00 C ATOM 1659 CG MET B 132 -1.067 2.132 -2.711 1.00 0.00 C ATOM 1660 SD MET B 132 0.667 1.932 -2.318 1.00 0.00 S ATOM 1661 CE MET B 132 0.751 0.171 -2.084 1.00 0.00 C ATOM 0 H MET B 132 -2.681 4.027 -1.827 1.00 0.00 H new ATOM 0 HA MET B 132 -0.144 4.721 -2.641 1.00 0.00 H new ATOM 0 HB2 MET B 132 -2.320 3.163 -4.099 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.624 3.141 -4.540 1.00 0.00 H new ATOM 0 HG2 MET B 132 -1.623 2.333 -1.795 1.00 0.00 H new ATOM 0 HG3 MET B 132 -1.454 1.199 -3.121 1.00 0.00 H new ATOM 0 HE1 MET B 132 1.738 -0.188 -2.375 1.00 0.00 H new ATOM 0 HE2 MET B 132 0.574 -0.066 -1.035 1.00 0.00 H new ATOM 0 HE3 MET B 132 -0.007 -0.314 -2.699 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.442 5.920 -4.708 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.633 6.925 -5.760 1.00 0.00 C ATOM 1673 C GLN B 133 -2.137 8.299 -5.305 1.00 0.00 C ATOM 1674 O GLN B 133 -1.553 9.048 -6.089 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.105 6.972 -6.186 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.682 8.376 -6.347 1.00 0.00 C ATOM 1677 CD GLN B 133 -5.821 8.431 -7.348 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -5.616 8.740 -8.518 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -7.030 8.132 -6.893 1.00 0.00 N ATOM 0 H GLN B 133 -3.290 5.425 -4.433 1.00 0.00 H new ATOM 0 HA GLN B 133 -2.038 6.638 -6.627 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.212 6.440 -7.131 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.699 6.433 -5.448 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -5.037 8.731 -5.380 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -3.891 9.055 -6.666 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -7.158 7.880 -5.913 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -7.832 8.154 -7.523 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.343 8.608 -4.031 1.00 0.00 N ATOM 1689 CA ASN B 134 -1.889 9.875 -3.459 1.00 0.00 C ATOM 1690 C ASN B 134 -0.367 9.886 -3.379 1.00 0.00 C ATOM 1691 O ASN B 134 0.289 10.800 -3.891 1.00 0.00 O ATOM 1692 CB ASN B 134 -2.493 10.050 -2.064 1.00 0.00 C ATOM 1693 CG ASN B 134 -3.094 11.413 -1.811 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -2.807 12.384 -2.510 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -3.938 11.483 -0.789 1.00 0.00 N ATOM 0 H ASN B 134 -2.823 7.998 -3.370 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.214 10.700 -4.093 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -3.264 9.293 -1.918 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -1.718 9.864 -1.320 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -4.381 12.371 -0.553 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -4.144 10.649 -0.239 1.00 0.00 H new ATOM 1702 N GLU B 135 0.188 8.844 -2.767 1.00 0.00 N ATOM 1703 CA GLU B 135 1.634 8.709 -2.645 1.00 0.00 C ATOM 1704 C GLU B 135 2.263 8.396 -4.006 1.00 0.00 C ATOM 1705 O GLU B 135 3.453 8.590 -4.202 1.00 0.00 O ATOM 1706 CB GLU B 135 1.980 7.621 -1.623 1.00 0.00 C ATOM 1707 CG GLU B 135 1.988 8.123 -0.185 1.00 0.00 C ATOM 1708 CD GLU B 135 0.618 8.575 0.287 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -0.144 7.728 0.798 1.00 0.00 O ATOM 1710 OE2 GLU B 135 0.308 9.777 0.140 1.00 0.00 O ATOM 0 H GLU B 135 -0.343 8.081 -2.348 1.00 0.00 H new ATOM 0 HA GLU B 135 2.044 9.656 -2.293 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.260 6.807 -1.712 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.960 7.207 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU B 135 2.350 7.330 0.470 1.00 0.00 H new ATOM 0 HG3 GLU B 135 2.689 8.953 -0.098 1.00 0.00 H new ATOM 1717 N ALA B 136 1.451 7.915 -4.947 1.00 0.00 N ATOM 1718 CA ALA B 136 1.910 7.582 -6.292 1.00 0.00 C ATOM 1719 C ALA B 136 1.853 8.793 -7.209 1.00 0.00 C ATOM 1720 O ALA B 136 2.630 8.896 -8.155 1.00 0.00 O ATOM 1721 CB ALA B 136 1.060 6.463 -6.864 1.00 0.00 C ATOM 0 H ALA B 136 0.456 7.746 -4.797 1.00 0.00 H new ATOM 0 HA ALA B 136 2.948 7.255 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.407 6.219 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.142 5.582 -6.227 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.019 6.783 -6.908 1.00 0.00 H new ATOM 1727 N ARG B 137 0.929 9.710 -6.935 1.00 0.00 N ATOM 1728 CA ARG B 137 0.806 10.913 -7.739 1.00 0.00 C ATOM 1729 C ARG B 137 1.862 11.905 -7.339 1.00 0.00 C ATOM 1730 O ARG B 137 2.611 12.423 -8.170 1.00 0.00 O ATOM 1731 CB ARG B 137 -0.530 11.587 -7.525 1.00 0.00 C ATOM 1732 CG ARG B 137 -1.455 11.491 -8.722 1.00 0.00 C ATOM 1733 CD ARG B 137 -0.735 11.885 -10.004 1.00 0.00 C ATOM 1734 NE ARG B 137 -0.285 10.709 -10.762 1.00 0.00 N ATOM 1735 CZ ARG B 137 0.868 10.627 -11.421 1.00 0.00 C ATOM 1736 NH1 ARG B 137 1.696 11.654 -11.471 1.00 0.00 N ATOM 1737 NH2 ARG B 137 1.188 9.509 -12.042 1.00 0.00 N ATOM 0 H ARG B 137 0.261 9.640 -6.167 1.00 0.00 H new ATOM 0 HA ARG B 137 0.911 10.612 -8.781 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -1.020 11.139 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -0.364 12.638 -7.288 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -1.834 10.473 -8.812 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -2.318 12.140 -8.572 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -1.401 12.484 -10.625 1.00 0.00 H new ATOM 0 HD3 ARG B 137 0.124 12.511 -9.761 1.00 0.00 H new ATOM 0 HE ARG B 137 -0.901 9.897 -10.785 1.00 0.00 H new ATOM 0 HH11 ARG B 137 1.456 12.526 -11.000 1.00 0.00 H new ATOM 0 HH12 ARG B 137 2.576 11.575 -11.980 1.00 0.00 H new ATOM 0 HH21 ARG B 137 0.553 8.711 -12.016 1.00 0.00 H new ATOM 0 HH22 ARG B 137 2.071 9.442 -12.548 1.00 0.00 H new ATOM 1751 N ARG B 138 1.877 12.188 -6.047 1.00 0.00 N ATOM 1752 CA ARG B 138 2.803 13.145 -5.496 1.00 0.00 C ATOM 1753 C ARG B 138 4.181 12.519 -5.207 1.00 0.00 C ATOM 1754 O ARG B 138 5.212 13.169 -5.394 1.00 0.00 O ATOM 1755 CB ARG B 138 2.229 13.770 -4.222 1.00 0.00 C ATOM 1756 CG ARG B 138 1.021 14.662 -4.471 1.00 0.00 C ATOM 1757 CD ARG B 138 1.431 16.026 -5.006 1.00 0.00 C ATOM 1758 NE ARG B 138 0.858 16.287 -6.333 1.00 0.00 N ATOM 1759 CZ ARG B 138 0.061 17.311 -6.635 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -0.268 18.211 -5.726 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -0.406 17.434 -7.864 1.00 0.00 N ATOM 0 H ARG B 138 1.252 11.762 -5.362 1.00 0.00 H new ATOM 0 HA ARG B 138 2.948 13.923 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG B 138 1.947 12.974 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG B 138 3.007 14.355 -3.732 1.00 0.00 H new ATOM 0 HG2 ARG B 138 0.351 14.178 -5.182 1.00 0.00 H new ATOM 0 HG3 ARG B 138 0.463 14.787 -3.543 1.00 0.00 H new ATOM 0 HD2 ARG B 138 1.107 16.801 -4.311 1.00 0.00 H new ATOM 0 HD3 ARG B 138 2.518 16.083 -5.062 1.00 0.00 H new ATOM 0 HE ARG B 138 1.088 15.633 -7.082 1.00 0.00 H new ATOM 0 HH11 ARG B 138 0.089 18.129 -4.774 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -0.879 18.988 -5.976 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -0.156 16.747 -8.576 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -1.017 18.216 -8.102 1.00 0.00 H new