USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 856 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 101 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 114 THR OG1 : rot 180:sc= -0.108 USER MOD Set 2.1: A 58 GLN : amide:sc= 0.663 K(o=0.48,f=-3.3) USER MOD Set 2.2: A 103 HIS : no HD1:sc= -0.18 X(o=0.48,f=0.63) USER MOD Set 3.1: A 52 ASN : amide:sc= 1.36 K(o=3.8,f=2) USER MOD Set 3.2: A 63 CYS SG : rot 180:sc= 1.68 USER MOD Set 3.3: A 90 CYS SG : rot -122:sc= 0.708 USER MOD Set 4.1: A 43 TYR OH : rot 13:sc= 0.182 USER MOD Set 4.2: A 46 THR OG1 : rot 180:sc= -0.0221 USER MOD Set 5.1: A 41 ASN : amide:sc= -0.0679 X(o=-0.11,f=-0.0062) USER MOD Set 5.2: A 112 ASN : amide:sc= -0.0468 X(o=-0.11,f=-0.4) USER MOD Set 6.1: A 32 THR OG1 : rot 180:sc= 0.987 USER MOD Set 6.2: A 50 THR OG1 : rot -63:sc= 1.18 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 170:sc= 0.228 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.09 K(o=1.1,f=-6.5!) USER MOD Single : A 44 MET CE :methyl 148:sc=-0.00419 (180deg=-0.315) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0773 USER MOD Single : A 56 SER OG : rot -174:sc= 1.24 USER MOD Single : A 65 THR OG1 : rot -164:sc= 1.28 USER MOD Single : A 68 GLN : amide:sc= -3.92! K(o=-3.9!,f=-2) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -132:sc= -0.966 (180deg=-3.86!) USER MOD Single : A 75 ASN : amide:sc= -0.986 K(o=-0.99,f=-5.9!) USER MOD Single : A 76 THR OG1 : rot 172:sc= 0.159 USER MOD Single : A 78 SER OG : rot -159:sc= 0.669 USER MOD Single : A 82 MET CE :methyl 156:sc= -3.68 (180deg=-8.19!) USER MOD Single : A 83 ASN : amide:sc= -1.24 K(o=-1.2,f=0.084) USER MOD Single : A 94 THR OG1 : rot 48:sc= 1.23 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0419 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0.621 K(o=0.62,f=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 109 GLN : amide:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.816 X(o=-0.82,f=-0.8) USER MOD Single : A 120 MET CE :methyl -129:sc= -0.0407 (180deg=-3.24!) USER MOD Single : A 121 SER OG : rot 170:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.0639 K(o=-0.064,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -8.131 -17.504 4.986 1.00 0.00 N ATOM 2 CA GLY A 25 -7.211 -17.173 6.074 1.00 0.00 C ATOM 3 C GLY A 25 -5.788 -17.507 5.676 1.00 0.00 C ATOM 4 O GLY A 25 -5.325 -17.047 4.634 1.00 0.00 O ATOM 0 HA2 GLY A 25 -7.289 -16.113 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.485 -17.726 6.972 1.00 0.00 H new ATOM 8 N GLN A 26 -5.108 -18.327 6.486 1.00 0.00 N ATOM 9 CA GLN A 26 -3.652 -18.474 6.553 1.00 0.00 C ATOM 10 C GLN A 26 -3.035 -17.231 7.212 1.00 0.00 C ATOM 11 O GLN A 26 -3.747 -16.264 7.453 1.00 0.00 O ATOM 12 CB GLN A 26 -3.037 -18.805 5.174 1.00 0.00 C ATOM 13 CG GLN A 26 -1.873 -19.809 5.241 1.00 0.00 C ATOM 14 CD GLN A 26 -2.337 -21.258 5.352 1.00 0.00 C ATOM 15 OE1 GLN A 26 -2.122 -21.935 6.360 1.00 0.00 O ATOM 16 NE2 GLN A 26 -2.989 -21.774 4.328 1.00 0.00 N ATOM 0 H GLN A 26 -5.586 -18.938 7.148 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.412 -19.332 7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.816 -19.208 4.526 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.684 -17.883 4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.255 -19.699 4.350 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.243 -19.569 6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.164 -21.209 3.497 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.319 -22.738 4.367 1.00 0.00 H new ATOM 25 N GLU A 27 -1.730 -17.254 7.512 1.00 0.00 N ATOM 26 CA GLU A 27 -0.975 -16.117 8.041 1.00 0.00 C ATOM 27 C GLU A 27 0.507 -16.485 8.023 1.00 0.00 C ATOM 28 O GLU A 27 0.917 -17.384 8.755 1.00 0.00 O ATOM 29 CB GLU A 27 -1.442 -15.792 9.472 1.00 0.00 C ATOM 30 CG GLU A 27 -0.567 -14.763 10.211 1.00 0.00 C ATOM 31 CD GLU A 27 -0.951 -14.671 11.686 1.00 0.00 C ATOM 32 OE1 GLU A 27 -2.126 -14.934 12.037 1.00 0.00 O ATOM 33 OE2 GLU A 27 -0.072 -14.398 12.531 1.00 0.00 O ATOM 0 H GLU A 27 -1.157 -18.089 7.389 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.141 -15.230 7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.465 -15.417 9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.464 -16.715 10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.483 -15.044 10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.676 -13.785 9.742 1.00 0.00 H new ATOM 41 N LEU A 28 1.317 -15.845 7.171 1.00 0.00 N ATOM 42 CA LEU A 28 2.760 -16.063 7.146 1.00 0.00 C ATOM 43 C LEU A 28 3.591 -14.800 6.835 1.00 0.00 C ATOM 44 O LEU A 28 4.122 -14.681 5.732 1.00 0.00 O ATOM 45 CB LEU A 28 3.144 -17.319 6.329 1.00 0.00 C ATOM 46 CG LEU A 28 2.491 -17.635 4.968 1.00 0.00 C ATOM 47 CD1 LEU A 28 1.038 -18.099 5.050 1.00 0.00 C ATOM 48 CD2 LEU A 28 2.555 -16.455 4.015 1.00 0.00 C ATOM 0 H LEU A 28 0.988 -15.166 6.485 1.00 0.00 H new ATOM 0 HA LEU A 28 3.051 -16.287 8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.219 -17.267 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.965 -18.180 6.972 1.00 0.00 H new ATOM 0 HG LEU A 28 3.086 -18.466 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.662 -18.298 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.980 -19.010 5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.433 -17.321 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.083 -16.724 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.032 -15.605 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.596 -16.187 3.837 1.00 0.00 H new ATOM 60 N PRO A 29 3.736 -13.839 7.769 1.00 0.00 N ATOM 61 CA PRO A 29 4.645 -12.701 7.617 1.00 0.00 C ATOM 62 C PRO A 29 6.119 -13.049 7.921 1.00 0.00 C ATOM 63 O PRO A 29 6.469 -13.207 9.094 1.00 0.00 O ATOM 64 CB PRO A 29 4.142 -11.626 8.581 1.00 0.00 C ATOM 65 CG PRO A 29 3.366 -12.401 9.655 1.00 0.00 C ATOM 66 CD PRO A 29 2.940 -13.709 8.983 1.00 0.00 C ATOM 0 HA PRO A 29 4.640 -12.367 6.579 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.969 -11.066 9.017 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.502 -10.905 8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.989 -12.593 10.529 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.500 -11.836 9.999 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.107 -14.557 9.647 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.876 -13.694 8.747 1.00 0.00 H new ATOM 74 N PRO A 30 7.012 -13.084 6.913 1.00 0.00 N ATOM 75 CA PRO A 30 8.450 -12.894 7.072 1.00 0.00 C ATOM 76 C PRO A 30 8.835 -11.430 7.329 1.00 0.00 C ATOM 77 O PRO A 30 10.029 -11.134 7.392 1.00 0.00 O ATOM 78 CB PRO A 30 9.064 -13.376 5.753 1.00 0.00 C ATOM 79 CG PRO A 30 7.996 -13.001 4.735 1.00 0.00 C ATOM 80 CD PRO A 30 6.731 -13.342 5.514 1.00 0.00 C ATOM 0 HA PRO A 30 8.812 -13.445 7.940 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.014 -12.884 5.544 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.256 -14.449 5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.040 -11.948 4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.082 -13.577 3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.892 -12.736 5.171 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.454 -14.385 5.362 1.00 0.00 H new ATOM 88 N GLY A 31 7.876 -10.504 7.426 1.00 0.00 N ATOM 89 CA GLY A 31 8.146 -9.112 7.717 1.00 0.00 C ATOM 90 C GLY A 31 8.182 -8.337 6.420 1.00 0.00 C ATOM 91 O GLY A 31 7.227 -7.620 6.136 1.00 0.00 O ATOM 0 H GLY A 31 6.885 -10.712 7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.377 -8.709 8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.097 -9.014 8.241 1.00 0.00 H new ATOM 95 N THR A 32 9.237 -8.516 5.626 1.00 0.00 N ATOM 96 CA THR A 32 9.464 -7.786 4.387 1.00 0.00 C ATOM 97 C THR A 32 9.675 -8.766 3.237 1.00 0.00 C ATOM 98 O THR A 32 10.329 -9.797 3.407 1.00 0.00 O ATOM 99 CB THR A 32 10.633 -6.801 4.580 1.00 0.00 C ATOM 100 OG1 THR A 32 10.254 -5.812 5.523 1.00 0.00 O ATOM 101 CG2 THR A 32 11.061 -6.082 3.293 1.00 0.00 C ATOM 0 H THR A 32 9.973 -9.190 5.835 1.00 0.00 H new ATOM 0 HA THR A 32 8.590 -7.191 4.124 1.00 0.00 H new ATOM 0 HB THR A 32 11.480 -7.398 4.919 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.994 -5.182 5.652 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.888 -5.407 3.511 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.378 -6.817 2.554 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.221 -5.511 2.899 1.00 0.00 H new ATOM 109 N TYR A 33 9.127 -8.431 2.066 1.00 0.00 N ATOM 110 CA TYR A 33 9.264 -9.175 0.822 1.00 0.00 C ATOM 111 C TYR A 33 9.326 -8.176 -0.351 1.00 0.00 C ATOM 112 O TYR A 33 8.690 -7.127 -0.294 1.00 0.00 O ATOM 113 CB TYR A 33 8.129 -10.222 0.740 1.00 0.00 C ATOM 114 CG TYR A 33 6.744 -9.820 0.243 1.00 0.00 C ATOM 115 CD1 TYR A 33 6.102 -8.628 0.641 1.00 0.00 C ATOM 116 CD2 TYR A 33 6.057 -10.706 -0.605 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.830 -8.289 0.143 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.818 -10.346 -1.154 1.00 0.00 C ATOM 119 CZ TYR A 33 4.218 -9.113 -0.814 1.00 0.00 C ATOM 120 OH TYR A 33 3.058 -8.699 -1.405 1.00 0.00 O ATOM 0 H TYR A 33 8.551 -7.596 1.960 1.00 0.00 H new ATOM 0 HA TYR A 33 10.193 -9.743 0.774 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.481 -11.029 0.097 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.004 -10.641 1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.594 -7.966 1.338 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.486 -11.670 -0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.328 -7.400 0.495 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.320 -11.015 -1.840 1.00 0.00 H new ATOM 0 HH TYR A 33 2.844 -9.291 -2.156 1.00 0.00 H new ATOM 130 N ARG A 34 10.119 -8.435 -1.397 1.00 0.00 N ATOM 131 CA ARG A 34 10.215 -7.604 -2.609 1.00 0.00 C ATOM 132 C ARG A 34 9.296 -8.194 -3.632 1.00 0.00 C ATOM 133 O ARG A 34 9.379 -9.402 -3.859 1.00 0.00 O ATOM 134 CB ARG A 34 11.649 -7.619 -3.151 1.00 0.00 C ATOM 135 CG ARG A 34 11.944 -7.153 -4.590 1.00 0.00 C ATOM 136 CD ARG A 34 11.644 -5.693 -4.907 1.00 0.00 C ATOM 137 NE ARG A 34 12.616 -4.796 -4.251 1.00 0.00 N ATOM 138 CZ ARG A 34 13.579 -4.058 -4.817 1.00 0.00 C ATOM 139 NH1 ARG A 34 13.821 -4.084 -6.121 1.00 0.00 N ATOM 140 NH2 ARG A 34 14.299 -3.262 -4.042 1.00 0.00 N ATOM 0 H ARG A 34 10.730 -9.251 -1.427 1.00 0.00 H new ATOM 0 HA ARG A 34 9.943 -6.574 -2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.252 -7.004 -2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.016 -8.641 -3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.998 -7.338 -4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.369 -7.776 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.672 -5.539 -5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.635 -5.446 -4.576 1.00 0.00 H new ATOM 0 HE ARG A 34 12.545 -4.730 -3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.264 -4.682 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.564 -3.506 -6.513 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.114 -3.222 -3.040 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.039 -2.689 -4.447 1.00 0.00 H new ATOM 154 N VAL A 35 8.470 -7.362 -4.258 1.00 0.00 N ATOM 155 CA VAL A 35 7.434 -7.859 -5.140 1.00 0.00 C ATOM 156 C VAL A 35 6.996 -6.792 -6.161 1.00 0.00 C ATOM 157 O VAL A 35 7.419 -5.640 -6.034 1.00 0.00 O ATOM 158 CB VAL A 35 6.237 -8.306 -4.281 1.00 0.00 C ATOM 159 CG1 VAL A 35 6.467 -9.697 -3.711 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.920 -7.309 -3.147 1.00 0.00 C ATOM 0 H VAL A 35 8.502 -6.346 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 35 7.826 -8.702 -5.710 1.00 0.00 H new ATOM 0 HB VAL A 35 5.371 -8.332 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.607 -9.990 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.597 -10.408 -4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.362 -9.692 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.068 -7.671 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.786 -7.215 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.681 -6.335 -3.575 1.00 0.00 H new ATOM 170 N ASP A 36 6.134 -7.144 -7.134 1.00 0.00 N ATOM 171 CA ASP A 36 5.490 -6.229 -8.079 1.00 0.00 C ATOM 172 C ASP A 36 4.132 -5.856 -7.493 1.00 0.00 C ATOM 173 O ASP A 36 3.250 -6.704 -7.317 1.00 0.00 O ATOM 174 CB ASP A 36 5.305 -6.872 -9.464 1.00 0.00 C ATOM 175 CG ASP A 36 6.548 -6.746 -10.342 1.00 0.00 C ATOM 176 OD1 ASP A 36 7.674 -7.044 -9.879 1.00 0.00 O ATOM 177 OD2 ASP A 36 6.436 -6.280 -11.492 1.00 0.00 O ATOM 0 H ASP A 36 5.860 -8.115 -7.284 1.00 0.00 H new ATOM 0 HA ASP A 36 6.119 -5.350 -8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.058 -7.926 -9.341 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.460 -6.403 -9.968 1.00 0.00 H new ATOM 183 N ILE A 37 3.992 -4.619 -7.042 1.00 0.00 N ATOM 184 CA ILE A 37 2.858 -4.064 -6.305 1.00 0.00 C ATOM 185 C ILE A 37 1.842 -3.641 -7.358 1.00 0.00 C ATOM 186 O ILE A 37 2.183 -3.011 -8.361 1.00 0.00 O ATOM 187 CB ILE A 37 3.377 -2.860 -5.480 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.462 -3.298 -4.463 1.00 0.00 C ATOM 189 CG2 ILE A 37 2.239 -2.132 -4.747 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.370 -2.145 -4.026 1.00 0.00 C ATOM 0 H ILE A 37 4.721 -3.921 -7.191 1.00 0.00 H new ATOM 0 HA ILE A 37 2.395 -4.768 -5.614 1.00 0.00 H new ATOM 0 HB ILE A 37 3.822 -2.165 -6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.978 -3.725 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.071 -4.086 -4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.648 -1.295 -4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.517 -1.760 -5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.744 -2.824 -4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.109 -2.513 -3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.879 -1.733 -4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.769 -1.367 -3.555 1.00 0.00 H new ATOM 202 N TYR A 38 0.587 -3.985 -7.118 1.00 0.00 N ATOM 203 CA TYR A 38 -0.465 -4.012 -8.123 1.00 0.00 C ATOM 204 C TYR A 38 -1.745 -3.467 -7.494 1.00 0.00 C ATOM 205 O TYR A 38 -2.454 -4.179 -6.795 1.00 0.00 O ATOM 206 CB TYR A 38 -0.616 -5.465 -8.628 1.00 0.00 C ATOM 207 CG TYR A 38 -0.129 -5.688 -10.041 1.00 0.00 C ATOM 208 CD1 TYR A 38 -1.030 -5.478 -11.090 1.00 0.00 C ATOM 209 CD2 TYR A 38 1.176 -6.136 -10.321 1.00 0.00 C ATOM 210 CE1 TYR A 38 -0.658 -5.714 -12.418 1.00 0.00 C ATOM 211 CE2 TYR A 38 1.563 -6.380 -11.654 1.00 0.00 C ATOM 212 CZ TYR A 38 0.640 -6.178 -12.708 1.00 0.00 C ATOM 213 OH TYR A 38 0.989 -6.402 -14.003 1.00 0.00 O ATOM 0 H TYR A 38 0.262 -4.261 -6.191 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.229 -3.386 -8.983 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.068 -6.128 -7.959 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.666 -5.750 -8.569 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.028 -5.128 -10.872 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.879 -6.292 -9.516 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.363 -5.541 -13.217 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.564 -6.721 -11.871 1.00 0.00 H new ATOM 0 HH TYR A 38 1.916 -6.718 -14.042 1.00 0.00 H new ATOM 223 N LEU A 39 -2.047 -2.187 -7.695 1.00 0.00 N ATOM 224 CA LEU A 39 -3.280 -1.581 -7.206 1.00 0.00 C ATOM 225 C LEU A 39 -4.247 -1.499 -8.374 1.00 0.00 C ATOM 226 O LEU A 39 -3.805 -1.252 -9.490 1.00 0.00 O ATOM 227 CB LEU A 39 -2.976 -0.208 -6.600 1.00 0.00 C ATOM 228 CG LEU A 39 -4.217 0.445 -5.965 1.00 0.00 C ATOM 229 CD1 LEU A 39 -3.947 0.931 -4.539 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.723 1.602 -6.828 1.00 0.00 C ATOM 0 H LEU A 39 -1.442 -1.541 -8.202 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.734 -2.178 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.198 -0.313 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.581 0.448 -7.375 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.988 -0.324 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.851 1.384 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.653 0.086 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.145 1.669 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.600 2.048 -6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.940 2.354 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.990 1.229 -7.817 1.00 0.00 H new ATOM 242 N ASN A 40 -5.535 -1.745 -8.119 1.00 0.00 N ATOM 243 CA ASN A 40 -6.590 -1.894 -9.132 1.00 0.00 C ATOM 244 C ASN A 40 -6.143 -2.760 -10.318 1.00 0.00 C ATOM 245 O ASN A 40 -6.475 -2.492 -11.471 1.00 0.00 O ATOM 246 CB ASN A 40 -7.115 -0.521 -9.580 1.00 0.00 C ATOM 247 CG ASN A 40 -7.882 0.220 -8.498 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.422 -0.386 -7.575 1.00 0.00 O ATOM 249 ND2 ASN A 40 -7.938 1.535 -8.570 1.00 0.00 N ATOM 0 H ASN A 40 -5.887 -1.850 -7.168 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.418 -2.429 -8.666 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.274 0.093 -9.902 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.763 -0.654 -10.446 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.435 2.064 -7.853 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.485 2.023 -9.342 1.00 0.00 H new ATOM 256 N ASN A 41 -5.368 -3.814 -10.039 1.00 0.00 N ATOM 257 CA ASN A 41 -4.772 -4.702 -11.037 1.00 0.00 C ATOM 258 C ASN A 41 -3.985 -3.937 -12.122 1.00 0.00 C ATOM 259 O ASN A 41 -3.938 -4.357 -13.277 1.00 0.00 O ATOM 260 CB ASN A 41 -5.828 -5.697 -11.568 1.00 0.00 C ATOM 261 CG ASN A 41 -5.762 -7.008 -10.792 1.00 0.00 C ATOM 262 OD1 ASN A 41 -5.500 -8.068 -11.338 1.00 0.00 O ATOM 263 ND2 ASN A 41 -5.947 -6.977 -9.483 1.00 0.00 N ATOM 0 H ASN A 41 -5.133 -4.079 -9.082 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.005 -5.308 -10.556 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.824 -5.263 -11.477 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.658 -5.886 -12.628 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.870 -7.835 -8.937 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.166 -6.095 -9.020 1.00 0.00 H new ATOM 270 N GLY A 42 -3.346 -2.819 -11.765 1.00 0.00 N ATOM 271 CA GLY A 42 -2.832 -1.826 -12.702 1.00 0.00 C ATOM 272 C GLY A 42 -1.368 -1.422 -12.494 1.00 0.00 C ATOM 273 O GLY A 42 -1.006 -0.343 -12.948 1.00 0.00 O ATOM 0 H GLY A 42 -3.169 -2.577 -10.790 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.944 -2.214 -13.714 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.451 -0.932 -12.633 1.00 0.00 H new ATOM 277 N TYR A 43 -0.557 -2.270 -11.841 1.00 0.00 N ATOM 278 CA TYR A 43 0.901 -2.211 -11.647 1.00 0.00 C ATOM 279 C TYR A 43 1.485 -0.849 -11.246 1.00 0.00 C ATOM 280 O TYR A 43 1.587 0.070 -12.061 1.00 0.00 O ATOM 281 CB TYR A 43 1.627 -2.734 -12.889 1.00 0.00 C ATOM 282 CG TYR A 43 3.136 -2.717 -12.751 1.00 0.00 C ATOM 283 CD1 TYR A 43 3.766 -3.295 -11.631 1.00 0.00 C ATOM 284 CD2 TYR A 43 3.903 -2.043 -13.715 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.156 -3.166 -11.457 1.00 0.00 C ATOM 286 CE2 TYR A 43 5.288 -1.909 -13.546 1.00 0.00 C ATOM 287 CZ TYR A 43 5.922 -2.442 -12.400 1.00 0.00 C ATOM 288 OH TYR A 43 7.255 -2.231 -12.213 1.00 0.00 O ATOM 0 H TYR A 43 -0.946 -3.098 -11.390 1.00 0.00 H new ATOM 0 HA TYR A 43 1.073 -2.852 -10.782 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.299 -3.754 -13.091 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.341 -2.130 -13.750 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.180 -3.838 -10.904 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.424 -1.627 -14.589 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.638 -3.620 -10.604 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.874 -1.396 -14.295 1.00 0.00 H new ATOM 0 HH TYR A 43 7.580 -2.810 -11.492 1.00 0.00 H new ATOM 298 N MET A 44 1.960 -0.731 -10.002 1.00 0.00 N ATOM 299 CA MET A 44 2.318 0.561 -9.422 1.00 0.00 C ATOM 300 C MET A 44 3.825 0.725 -9.247 1.00 0.00 C ATOM 301 O MET A 44 4.366 1.791 -9.538 1.00 0.00 O ATOM 302 CB MET A 44 1.591 0.817 -8.089 1.00 0.00 C ATOM 303 CG MET A 44 0.155 0.282 -7.990 1.00 0.00 C ATOM 304 SD MET A 44 -0.899 0.382 -9.468 1.00 0.00 S ATOM 305 CE MET A 44 -1.418 2.109 -9.434 1.00 0.00 C ATOM 0 H MET A 44 2.105 -1.523 -9.376 1.00 0.00 H new ATOM 0 HA MET A 44 1.986 1.312 -10.139 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.179 0.372 -7.286 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.570 1.892 -7.910 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.209 -0.764 -7.689 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.347 0.820 -7.186 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.553 2.469 -10.454 1.00 0.00 H new ATOM 0 HE2 MET A 44 -2.359 2.195 -8.891 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.656 2.708 -8.936 1.00 0.00 H new ATOM 315 N ALA A 45 4.510 -0.293 -8.716 1.00 0.00 N ATOM 316 CA ALA A 45 5.952 -0.275 -8.487 1.00 0.00 C ATOM 317 C ALA A 45 6.449 -1.700 -8.229 1.00 0.00 C ATOM 318 O ALA A 45 5.641 -2.594 -7.982 1.00 0.00 O ATOM 319 CB ALA A 45 6.255 0.606 -7.263 1.00 0.00 C ATOM 0 H ALA A 45 4.067 -1.166 -8.430 1.00 0.00 H new ATOM 0 HA ALA A 45 6.458 0.127 -9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.330 0.625 -7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.900 1.620 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.750 0.199 -6.387 1.00 0.00 H new ATOM 325 N THR A 46 7.766 -1.882 -8.162 1.00 0.00 N ATOM 326 CA THR A 46 8.424 -3.117 -7.762 1.00 0.00 C ATOM 327 C THR A 46 9.481 -2.771 -6.720 1.00 0.00 C ATOM 328 O THR A 46 10.586 -2.351 -7.077 1.00 0.00 O ATOM 329 CB THR A 46 9.008 -3.829 -8.991 1.00 0.00 C ATOM 330 OG1 THR A 46 7.969 -4.185 -9.863 1.00 0.00 O ATOM 331 CG2 THR A 46 9.797 -5.092 -8.654 1.00 0.00 C ATOM 0 H THR A 46 8.428 -1.141 -8.395 1.00 0.00 H new ATOM 0 HA THR A 46 7.715 -3.815 -7.316 1.00 0.00 H new ATOM 0 HB THR A 46 9.700 -3.122 -9.448 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.342 -4.638 -10.648 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.178 -5.539 -9.572 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.632 -4.836 -8.001 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.145 -5.804 -8.147 1.00 0.00 H new ATOM 339 N ARG A 47 9.145 -2.868 -5.428 1.00 0.00 N ATOM 340 CA ARG A 47 10.052 -2.594 -4.315 1.00 0.00 C ATOM 341 C ARG A 47 9.726 -3.522 -3.147 1.00 0.00 C ATOM 342 O ARG A 47 8.721 -4.227 -3.176 1.00 0.00 O ATOM 343 CB ARG A 47 9.953 -1.117 -3.876 1.00 0.00 C ATOM 344 CG ARG A 47 10.468 -0.095 -4.900 1.00 0.00 C ATOM 345 CD ARG A 47 11.965 -0.262 -5.207 1.00 0.00 C ATOM 346 NE ARG A 47 12.368 0.616 -6.311 1.00 0.00 N ATOM 347 CZ ARG A 47 13.260 0.386 -7.275 1.00 0.00 C ATOM 348 NH1 ARG A 47 13.925 -0.761 -7.333 1.00 0.00 N ATOM 349 NH2 ARG A 47 13.479 1.332 -8.177 1.00 0.00 N ATOM 0 H ARG A 47 8.212 -3.146 -5.124 1.00 0.00 H new ATOM 0 HA ARG A 47 11.075 -2.778 -4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.911 -0.890 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.512 -0.992 -2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.899 -0.195 -5.824 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.289 0.912 -4.523 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.552 -0.030 -4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.175 -1.300 -5.466 1.00 0.00 H new ATOM 0 HE ARG A 47 11.904 1.524 -6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.757 -1.484 -6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.604 -0.920 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.970 2.214 -8.125 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.157 1.178 -8.923 1.00 0.00 H new ATOM 363 N ASP A 48 10.619 -3.562 -2.161 1.00 0.00 N ATOM 364 CA ASP A 48 10.413 -4.133 -0.829 1.00 0.00 C ATOM 365 C ASP A 48 9.138 -3.566 -0.207 1.00 0.00 C ATOM 366 O ASP A 48 8.859 -2.367 -0.311 1.00 0.00 O ATOM 367 CB ASP A 48 11.668 -3.990 0.045 1.00 0.00 C ATOM 368 CG ASP A 48 12.841 -4.665 -0.666 1.00 0.00 C ATOM 369 OD1 ASP A 48 13.117 -5.861 -0.426 1.00 0.00 O ATOM 370 OD2 ASP A 48 13.377 -4.050 -1.619 1.00 0.00 O ATOM 0 H ASP A 48 11.557 -3.177 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 48 10.258 -5.209 -0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.888 -2.937 0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.503 -4.448 1.020 1.00 0.00 H new ATOM 376 N VAL A 49 8.350 -4.457 0.390 1.00 0.00 N ATOM 377 CA VAL A 49 7.078 -4.224 1.045 1.00 0.00 C ATOM 378 C VAL A 49 7.173 -4.898 2.409 1.00 0.00 C ATOM 379 O VAL A 49 7.534 -6.069 2.486 1.00 0.00 O ATOM 380 CB VAL A 49 5.927 -4.835 0.220 1.00 0.00 C ATOM 381 CG1 VAL A 49 4.555 -4.568 0.859 1.00 0.00 C ATOM 382 CG2 VAL A 49 5.878 -4.355 -1.231 1.00 0.00 C ATOM 0 H VAL A 49 8.613 -5.442 0.428 1.00 0.00 H new ATOM 0 HA VAL A 49 6.872 -3.158 1.143 1.00 0.00 H new ATOM 0 HB VAL A 49 6.143 -5.903 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.774 -5.016 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.527 -5.005 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.389 -3.493 0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.042 -4.830 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.749 -3.273 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.809 -4.619 -1.733 1.00 0.00 H new ATOM 392 N THR A 50 6.825 -4.198 3.483 1.00 0.00 N ATOM 393 CA THR A 50 6.704 -4.749 4.825 1.00 0.00 C ATOM 394 C THR A 50 5.217 -4.993 5.101 1.00 0.00 C ATOM 395 O THR A 50 4.391 -4.174 4.702 1.00 0.00 O ATOM 396 CB THR A 50 7.345 -3.754 5.803 1.00 0.00 C ATOM 397 OG1 THR A 50 8.692 -3.517 5.425 1.00 0.00 O ATOM 398 CG2 THR A 50 7.341 -4.246 7.245 1.00 0.00 C ATOM 0 H THR A 50 6.613 -3.201 3.441 1.00 0.00 H new ATOM 0 HA THR A 50 7.220 -5.702 4.940 1.00 0.00 H new ATOM 0 HB THR A 50 6.746 -2.844 5.754 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.202 -4.351 5.493 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.808 -3.498 7.886 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.314 -4.412 7.570 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.899 -5.180 7.312 1.00 0.00 H new ATOM 406 N PHE A 51 4.838 -6.108 5.734 1.00 0.00 N ATOM 407 CA PHE A 51 3.471 -6.477 6.049 1.00 0.00 C ATOM 408 C PHE A 51 3.450 -7.246 7.365 1.00 0.00 C ATOM 409 O PHE A 51 4.461 -7.816 7.790 1.00 0.00 O ATOM 410 CB PHE A 51 2.835 -7.309 4.915 1.00 0.00 C ATOM 411 CG PHE A 51 3.621 -8.505 4.415 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.934 -8.376 3.917 1.00 0.00 C ATOM 413 CD2 PHE A 51 3.006 -9.763 4.428 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.683 -9.518 3.602 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.740 -10.905 4.060 1.00 0.00 C ATOM 416 CZ PHE A 51 5.080 -10.778 3.691 1.00 0.00 C ATOM 0 H PHE A 51 5.513 -6.803 6.051 1.00 0.00 H new ATOM 0 HA PHE A 51 2.877 -5.569 6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.863 -7.662 5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.653 -6.646 4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.363 -7.395 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.970 -9.856 4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.714 -9.427 3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.268 -11.877 4.063 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.659 -11.663 3.471 1.00 0.00 H new ATOM 426 N ASN A 52 2.302 -7.207 8.034 1.00 0.00 N ATOM 427 CA ASN A 52 2.060 -7.687 9.390 1.00 0.00 C ATOM 428 C ASN A 52 0.558 -7.778 9.591 1.00 0.00 C ATOM 429 O ASN A 52 -0.215 -7.247 8.796 1.00 0.00 O ATOM 430 CB ASN A 52 2.646 -6.751 10.460 1.00 0.00 C ATOM 431 CG ASN A 52 2.498 -5.277 10.126 1.00 0.00 C ATOM 432 OD1 ASN A 52 1.491 -4.641 10.430 1.00 0.00 O ATOM 433 ND2 ASN A 52 3.498 -4.723 9.463 1.00 0.00 N ATOM 0 H ASN A 52 1.460 -6.813 7.615 1.00 0.00 H new ATOM 0 HA ASN A 52 2.548 -8.655 9.502 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.155 -6.950 11.413 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.703 -6.981 10.592 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.447 -3.742 9.189 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.321 -5.277 9.225 1.00 0.00 H new ATOM 440 N THR A 53 0.151 -8.510 10.620 1.00 0.00 N ATOM 441 CA THR A 53 -1.214 -8.972 10.814 1.00 0.00 C ATOM 442 C THR A 53 -2.132 -7.756 11.043 1.00 0.00 C ATOM 443 O THR A 53 -1.732 -6.799 11.723 1.00 0.00 O ATOM 444 CB THR A 53 -1.205 -10.027 11.950 1.00 0.00 C ATOM 445 OG1 THR A 53 0.090 -10.592 12.129 1.00 0.00 O ATOM 446 CG2 THR A 53 -2.134 -11.189 11.596 1.00 0.00 C ATOM 0 H THR A 53 0.782 -8.807 11.364 1.00 0.00 H new ATOM 0 HA THR A 53 -1.623 -9.472 9.936 1.00 0.00 H new ATOM 0 HB THR A 53 -1.525 -9.513 12.856 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.062 -11.252 12.853 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.120 -11.924 12.401 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.149 -10.816 11.463 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.796 -11.657 10.671 1.00 0.00 H new ATOM 454 N GLY A 54 -3.316 -7.730 10.434 1.00 0.00 N ATOM 455 CA GLY A 54 -4.235 -6.607 10.503 1.00 0.00 C ATOM 456 C GLY A 54 -5.647 -7.012 10.113 1.00 0.00 C ATOM 457 O GLY A 54 -6.473 -7.196 11.005 1.00 0.00 O ATOM 0 H GLY A 54 -3.665 -8.505 9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.239 -6.202 11.515 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.889 -5.812 9.842 1.00 0.00 H new ATOM 461 N ASP A 55 -5.945 -7.086 8.812 1.00 0.00 N ATOM 462 CA ASP A 55 -7.259 -7.485 8.301 1.00 0.00 C ATOM 463 C ASP A 55 -7.175 -7.804 6.803 1.00 0.00 C ATOM 464 O ASP A 55 -7.176 -6.893 5.967 1.00 0.00 O ATOM 465 CB ASP A 55 -8.316 -6.398 8.553 1.00 0.00 C ATOM 466 CG ASP A 55 -9.704 -6.905 8.179 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.103 -7.981 8.685 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.416 -6.197 7.432 1.00 0.00 O ATOM 0 H ASP A 55 -5.273 -6.868 8.076 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.566 -8.381 8.840 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.301 -6.104 9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.078 -5.509 7.969 1.00 0.00 H new ATOM 474 N SER A 56 -7.039 -9.080 6.436 1.00 0.00 N ATOM 475 CA SER A 56 -7.020 -9.505 5.036 1.00 0.00 C ATOM 476 C SER A 56 -7.438 -10.973 4.938 1.00 0.00 C ATOM 477 O SER A 56 -8.095 -11.503 5.835 1.00 0.00 O ATOM 478 CB SER A 56 -5.638 -9.246 4.417 1.00 0.00 C ATOM 479 OG SER A 56 -4.670 -10.135 4.937 1.00 0.00 O ATOM 0 H SER A 56 -6.939 -9.847 7.101 1.00 0.00 H new ATOM 0 HA SER A 56 -7.738 -8.919 4.463 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.695 -9.359 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.335 -8.218 4.615 1.00 0.00 H new ATOM 0 HG SER A 56 -3.783 -9.884 4.604 1.00 0.00 H new ATOM 485 N GLU A 57 -7.134 -11.625 3.817 1.00 0.00 N ATOM 486 CA GLU A 57 -7.193 -13.066 3.660 1.00 0.00 C ATOM 487 C GLU A 57 -6.162 -13.694 4.598 1.00 0.00 C ATOM 488 O GLU A 57 -6.562 -14.243 5.617 1.00 0.00 O ATOM 489 CB GLU A 57 -7.039 -13.418 2.168 1.00 0.00 C ATOM 490 CG GLU A 57 -6.891 -14.919 1.861 1.00 0.00 C ATOM 491 CD GLU A 57 -8.053 -15.792 2.340 1.00 0.00 C ATOM 492 OE1 GLU A 57 -7.900 -17.035 2.321 1.00 0.00 O ATOM 493 OE2 GLU A 57 -9.073 -15.258 2.826 1.00 0.00 O ATOM 0 H GLU A 57 -6.831 -11.144 2.970 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.156 -13.484 3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.907 -13.037 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.166 -12.895 1.776 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.780 -15.046 0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.971 -15.280 2.321 1.00 0.00 H new ATOM 501 N GLN A 58 -4.858 -13.555 4.328 1.00 0.00 N ATOM 502 CA GLN A 58 -3.780 -14.099 5.168 1.00 0.00 C ATOM 503 C GLN A 58 -3.625 -13.369 6.514 1.00 0.00 C ATOM 504 O GLN A 58 -2.576 -13.470 7.149 1.00 0.00 O ATOM 505 CB GLN A 58 -2.453 -14.149 4.415 1.00 0.00 C ATOM 506 CG GLN A 58 -2.582 -15.026 3.170 1.00 0.00 C ATOM 507 CD GLN A 58 -2.734 -14.123 1.969 1.00 0.00 C ATOM 508 OE1 GLN A 58 -3.808 -13.717 1.545 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.625 -13.689 1.436 1.00 0.00 N ATOM 0 H GLN A 58 -4.516 -13.054 3.508 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.078 -15.120 5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.151 -13.141 4.129 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.672 -14.543 5.066 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.703 -15.660 3.059 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.443 -15.688 3.259 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.727 -14.023 1.785 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.656 -13.015 0.671 1.00 0.00 H new ATOM 518 N GLY A 59 -4.574 -12.516 6.898 1.00 0.00 N ATOM 519 CA GLY A 59 -4.510 -11.651 8.063 1.00 0.00 C ATOM 520 C GLY A 59 -3.576 -10.469 7.832 1.00 0.00 C ATOM 521 O GLY A 59 -3.863 -9.339 8.216 1.00 0.00 O ATOM 0 H GLY A 59 -5.445 -12.409 6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.509 -11.285 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.167 -12.224 8.924 1.00 0.00 H new ATOM 525 N ILE A 60 -2.453 -10.701 7.165 1.00 0.00 N ATOM 526 CA ILE A 60 -1.398 -9.735 6.989 1.00 0.00 C ATOM 527 C ILE A 60 -1.742 -8.744 5.893 1.00 0.00 C ATOM 528 O ILE A 60 -2.250 -9.095 4.825 1.00 0.00 O ATOM 529 CB ILE A 60 -0.059 -10.433 6.722 1.00 0.00 C ATOM 530 CG1 ILE A 60 -0.104 -11.492 5.593 1.00 0.00 C ATOM 531 CG2 ILE A 60 0.482 -11.039 8.010 1.00 0.00 C ATOM 532 CD1 ILE A 60 1.135 -12.392 5.542 1.00 0.00 C ATOM 0 H ILE A 60 -2.254 -11.597 6.721 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.296 -9.170 7.916 1.00 0.00 H new ATOM 0 HB ILE A 60 0.618 -9.658 6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.989 -12.114 5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.213 -10.984 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.433 -11.532 7.809 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.631 -10.251 8.748 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.230 -11.768 8.396 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.031 -13.108 4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.022 -11.781 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.234 -12.929 6.486 1.00 0.00 H new ATOM 544 N VAL A 61 -1.407 -7.498 6.168 1.00 0.00 N ATOM 545 CA VAL A 61 -1.649 -6.322 5.362 1.00 0.00 C ATOM 546 C VAL A 61 -0.331 -5.551 5.304 1.00 0.00 C ATOM 547 O VAL A 61 0.489 -5.668 6.221 1.00 0.00 O ATOM 548 CB VAL A 61 -2.755 -5.472 6.016 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.132 -6.118 5.853 1.00 0.00 C ATOM 550 CG2 VAL A 61 -2.491 -5.250 7.510 1.00 0.00 C ATOM 0 H VAL A 61 -0.918 -7.266 7.033 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.981 -6.581 4.357 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.743 -4.511 5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.887 -5.490 6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.361 -6.223 4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.131 -7.101 6.323 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.293 -4.646 7.935 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.452 -6.213 8.020 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.540 -4.733 7.639 1.00 0.00 H new ATOM 560 N PRO A 62 -0.099 -4.767 4.251 1.00 0.00 N ATOM 561 CA PRO A 62 1.145 -4.049 4.091 1.00 0.00 C ATOM 562 C PRO A 62 1.155 -2.784 4.946 1.00 0.00 C ATOM 563 O PRO A 62 0.142 -2.113 5.153 1.00 0.00 O ATOM 564 CB PRO A 62 1.218 -3.794 2.589 1.00 0.00 C ATOM 565 CG PRO A 62 -0.255 -3.556 2.226 1.00 0.00 C ATOM 566 CD PRO A 62 -0.968 -4.576 3.102 1.00 0.00 C ATOM 0 HA PRO A 62 2.025 -4.593 4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.840 -2.930 2.353 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.637 -4.645 2.052 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.570 -2.537 2.449 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.446 -3.725 1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.950 -4.215 3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.125 -5.513 2.567 1.00 0.00 H new ATOM 574 N CYS A 63 2.349 -2.440 5.404 1.00 0.00 N ATOM 575 CA CYS A 63 2.761 -1.102 5.745 1.00 0.00 C ATOM 576 C CYS A 63 2.969 -0.367 4.424 1.00 0.00 C ATOM 577 O CYS A 63 4.014 -0.506 3.791 1.00 0.00 O ATOM 578 CB CYS A 63 4.061 -1.162 6.546 1.00 0.00 C ATOM 579 SG CYS A 63 3.889 -1.822 8.219 1.00 0.00 S ATOM 0 H CYS A 63 3.088 -3.127 5.553 1.00 0.00 H new ATOM 0 HA CYS A 63 2.020 -0.588 6.356 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.779 -1.774 6.001 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.480 -0.158 6.608 1.00 0.00 H new ATOM 0 HG CYS A 63 5.050 -1.829 8.804 1.00 0.00 H new ATOM 585 N LEU A 64 1.961 0.377 3.982 1.00 0.00 N ATOM 586 CA LEU A 64 2.049 1.388 2.930 1.00 0.00 C ATOM 587 C LEU A 64 1.737 2.725 3.591 1.00 0.00 C ATOM 588 O LEU A 64 0.947 2.735 4.544 1.00 0.00 O ATOM 589 CB LEU A 64 1.005 1.126 1.828 1.00 0.00 C ATOM 590 CG LEU A 64 1.021 -0.286 1.230 1.00 0.00 C ATOM 591 CD1 LEU A 64 -0.120 -0.439 0.218 1.00 0.00 C ATOM 592 CD2 LEU A 64 2.382 -0.639 0.620 1.00 0.00 C ATOM 0 H LEU A 64 1.019 0.290 4.362 1.00 0.00 H new ATOM 0 HA LEU A 64 3.037 1.372 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.013 1.318 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.162 1.845 1.024 1.00 0.00 H new ATOM 0 HG LEU A 64 0.860 -1.000 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.101 -1.445 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.074 -0.272 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.003 0.291 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.346 -1.648 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.619 0.068 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.150 -0.589 1.391 1.00 0.00 H new ATOM 604 N THR A 65 2.248 3.848 3.074 1.00 0.00 N ATOM 605 CA THR A 65 1.924 5.139 3.679 1.00 0.00 C ATOM 606 C THR A 65 1.635 6.273 2.722 1.00 0.00 C ATOM 607 O THR A 65 1.710 6.044 1.533 1.00 0.00 O ATOM 608 CB THR A 65 3.137 5.557 4.529 1.00 0.00 C ATOM 609 OG1 THR A 65 4.226 5.728 3.638 1.00 0.00 O ATOM 610 CG2 THR A 65 3.583 4.507 5.541 1.00 0.00 C ATOM 0 H THR A 65 2.867 3.889 2.265 1.00 0.00 H new ATOM 0 HA THR A 65 1.001 4.983 4.237 1.00 0.00 H new ATOM 0 HB THR A 65 2.847 6.451 5.080 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.064 5.748 4.146 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.442 4.880 6.098 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.766 4.297 6.232 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.860 3.592 5.018 1.00 0.00 H new ATOM 618 N ARG A 66 1.230 7.468 3.175 1.00 0.00 N ATOM 619 CA ARG A 66 0.800 8.565 2.293 1.00 0.00 C ATOM 620 C ARG A 66 1.769 8.764 1.125 1.00 0.00 C ATOM 621 O ARG A 66 1.347 9.105 0.029 1.00 0.00 O ATOM 622 CB ARG A 66 0.698 9.886 3.079 1.00 0.00 C ATOM 623 CG ARG A 66 -0.639 10.027 3.813 1.00 0.00 C ATOM 624 CD ARG A 66 -0.759 11.132 4.876 1.00 0.00 C ATOM 625 NE ARG A 66 0.260 12.194 4.826 1.00 0.00 N ATOM 626 CZ ARG A 66 0.119 13.382 5.437 1.00 0.00 C ATOM 627 NH1 ARG A 66 -1.023 13.723 6.028 1.00 0.00 N ATOM 628 NH2 ARG A 66 1.118 14.249 5.465 1.00 0.00 N ATOM 0 H ARG A 66 1.191 7.703 4.167 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.178 8.289 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.513 9.940 3.801 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.823 10.724 2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.415 10.194 3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.860 9.074 4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.741 11.595 4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.721 10.666 5.861 1.00 0.00 H new ATOM 0 HE ARG A 66 1.117 12.019 4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.813 13.077 6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.109 14.630 6.486 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.006 14.018 5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.000 15.148 5.932 1.00 0.00 H new ATOM 642 N ALA A 67 3.041 8.483 1.376 1.00 0.00 N ATOM 643 CA ALA A 67 4.126 8.371 0.415 1.00 0.00 C ATOM 644 C ALA A 67 3.796 7.364 -0.685 1.00 0.00 C ATOM 645 O ALA A 67 3.765 7.687 -1.875 1.00 0.00 O ATOM 646 CB ALA A 67 5.371 7.884 1.172 1.00 0.00 C ATOM 0 H ALA A 67 3.363 8.315 2.329 1.00 0.00 H new ATOM 0 HA ALA A 67 4.290 9.342 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.205 7.789 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.627 8.602 1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.165 6.915 1.626 1.00 0.00 H new ATOM 652 N GLN A 68 3.608 6.116 -0.264 1.00 0.00 N ATOM 653 CA GLN A 68 3.494 4.952 -1.114 1.00 0.00 C ATOM 654 C GLN A 68 2.092 4.846 -1.702 1.00 0.00 C ATOM 655 O GLN A 68 1.939 4.542 -2.878 1.00 0.00 O ATOM 656 CB GLN A 68 3.887 3.710 -0.292 1.00 0.00 C ATOM 657 CG GLN A 68 5.119 3.047 -0.916 1.00 0.00 C ATOM 658 CD GLN A 68 6.358 3.955 -0.933 1.00 0.00 C ATOM 659 OE1 GLN A 68 7.128 3.909 -1.889 1.00 0.00 O ATOM 660 NE2 GLN A 68 6.581 4.804 0.067 1.00 0.00 N ATOM 0 H GLN A 68 3.528 5.887 0.727 1.00 0.00 H new ATOM 0 HA GLN A 68 4.171 5.034 -1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.098 3.996 0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.057 3.004 -0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.352 2.137 -0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.883 2.748 -1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.939 4.839 0.859 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.394 5.420 0.042 1.00 0.00 H new ATOM 669 N LEU A 69 1.053 5.131 -0.925 1.00 0.00 N ATOM 670 CA LEU A 69 -0.313 5.153 -1.394 1.00 0.00 C ATOM 671 C LEU A 69 -0.452 6.215 -2.489 1.00 0.00 C ATOM 672 O LEU A 69 -1.055 5.934 -3.521 1.00 0.00 O ATOM 673 CB LEU A 69 -1.303 5.483 -0.263 1.00 0.00 C ATOM 674 CG LEU A 69 -1.548 4.512 0.921 1.00 0.00 C ATOM 675 CD1 LEU A 69 -0.545 4.383 1.991 1.00 0.00 C ATOM 676 CD2 LEU A 69 -2.797 4.980 1.645 1.00 0.00 C ATOM 0 H LEU A 69 1.146 5.356 0.065 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.548 4.160 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.983 6.431 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.271 5.657 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.567 3.545 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.891 3.659 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.399 4.044 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.399 5.350 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.000 4.317 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.646 5.996 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.643 4.964 0.958 1.00 0.00 H new ATOM 688 N ALA A 70 0.100 7.424 -2.306 1.00 0.00 N ATOM 689 CA ALA A 70 0.049 8.452 -3.345 1.00 0.00 C ATOM 690 C ALA A 70 0.867 8.044 -4.571 1.00 0.00 C ATOM 691 O ALA A 70 0.496 8.398 -5.692 1.00 0.00 O ATOM 692 CB ALA A 70 0.552 9.787 -2.807 1.00 0.00 C ATOM 0 H ALA A 70 0.582 7.708 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.992 8.561 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.506 10.538 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.072 10.101 -1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.583 9.678 -2.470 1.00 0.00 H new ATOM 698 N SER A 71 1.948 7.281 -4.394 1.00 0.00 N ATOM 699 CA SER A 71 2.661 6.647 -5.495 1.00 0.00 C ATOM 700 C SER A 71 1.741 5.644 -6.217 1.00 0.00 C ATOM 701 O SER A 71 1.779 5.587 -7.441 1.00 0.00 O ATOM 702 CB SER A 71 3.967 6.039 -4.961 1.00 0.00 C ATOM 703 OG SER A 71 4.641 5.248 -5.911 1.00 0.00 O ATOM 0 H SER A 71 2.352 7.087 -3.477 1.00 0.00 H new ATOM 0 HA SER A 71 2.943 7.377 -6.253 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.627 6.842 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.745 5.431 -4.084 1.00 0.00 H new ATOM 0 HG SER A 71 5.463 4.891 -5.515 1.00 0.00 H new ATOM 709 N MET A 72 0.841 4.932 -5.524 1.00 0.00 N ATOM 710 CA MET A 72 -0.191 4.093 -6.158 1.00 0.00 C ATOM 711 C MET A 72 -1.376 4.912 -6.678 1.00 0.00 C ATOM 712 O MET A 72 -2.276 4.359 -7.302 1.00 0.00 O ATOM 713 CB MET A 72 -0.702 3.019 -5.189 1.00 0.00 C ATOM 714 CG MET A 72 0.458 2.174 -4.676 1.00 0.00 C ATOM 715 SD MET A 72 0.071 0.971 -3.397 1.00 0.00 S ATOM 716 CE MET A 72 1.627 1.190 -2.503 1.00 0.00 C ATOM 0 H MET A 72 0.807 4.920 -4.505 1.00 0.00 H new ATOM 0 HA MET A 72 0.289 3.615 -7.012 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.216 3.490 -4.351 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.430 2.382 -5.692 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.894 1.643 -5.523 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.225 2.846 -4.291 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.061 0.214 -2.283 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.321 1.765 -3.116 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.439 1.722 -1.571 1.00 0.00 H new ATOM 726 N GLY A 73 -1.401 6.216 -6.418 1.00 0.00 N ATOM 727 CA GLY A 73 -2.342 7.140 -7.040 1.00 0.00 C ATOM 728 C GLY A 73 -3.540 7.457 -6.157 1.00 0.00 C ATOM 729 O GLY A 73 -4.558 7.928 -6.664 1.00 0.00 O ATOM 0 H GLY A 73 -0.761 6.665 -5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.823 8.067 -7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.693 6.713 -7.979 1.00 0.00 H new ATOM 733 N LEU A 74 -3.455 7.161 -4.863 1.00 0.00 N ATOM 734 CA LEU A 74 -4.495 7.388 -3.869 1.00 0.00 C ATOM 735 C LEU A 74 -4.495 8.841 -3.409 1.00 0.00 C ATOM 736 O LEU A 74 -3.462 9.380 -3.000 1.00 0.00 O ATOM 737 CB LEU A 74 -4.194 6.454 -2.707 1.00 0.00 C ATOM 738 CG LEU A 74 -5.089 6.482 -1.461 1.00 0.00 C ATOM 739 CD1 LEU A 74 -4.561 7.423 -0.378 1.00 0.00 C ATOM 740 CD2 LEU A 74 -6.579 6.712 -1.597 1.00 0.00 C ATOM 0 H LEU A 74 -2.619 6.736 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.483 7.189 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.207 5.436 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.174 6.658 -2.381 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.011 5.429 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.233 7.403 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.567 7.100 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.506 8.438 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.041 6.698 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.756 7.679 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.014 5.925 -2.212 1.00 0.00 H new ATOM 752 N ASN A 75 -5.681 9.440 -3.390 1.00 0.00 N ATOM 753 CA ASN A 75 -5.913 10.804 -2.959 1.00 0.00 C ATOM 754 C ASN A 75 -5.936 10.833 -1.436 1.00 0.00 C ATOM 755 O ASN A 75 -6.982 10.662 -0.803 1.00 0.00 O ATOM 756 CB ASN A 75 -7.250 11.325 -3.509 1.00 0.00 C ATOM 757 CG ASN A 75 -7.369 12.837 -3.377 1.00 0.00 C ATOM 758 OD1 ASN A 75 -6.687 13.475 -2.579 1.00 0.00 O ATOM 759 ND2 ASN A 75 -8.222 13.420 -4.196 1.00 0.00 N ATOM 0 H ASN A 75 -6.535 8.967 -3.686 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.116 11.445 -3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.345 11.044 -4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.072 10.848 -2.975 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.332 14.434 -4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.772 12.857 -4.845 1.00 0.00 H new ATOM 766 N THR A 76 -4.780 11.060 -0.821 1.00 0.00 N ATOM 767 CA THR A 76 -4.659 11.169 0.630 1.00 0.00 C ATOM 768 C THR A 76 -5.482 12.328 1.191 1.00 0.00 C ATOM 769 O THR A 76 -5.710 12.357 2.403 1.00 0.00 O ATOM 770 CB THR A 76 -3.177 11.301 1.026 1.00 0.00 C ATOM 771 OG1 THR A 76 -2.698 12.595 0.729 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.248 10.316 0.312 1.00 0.00 C ATOM 0 H THR A 76 -3.896 11.174 -1.317 1.00 0.00 H new ATOM 0 HA THR A 76 -5.063 10.257 1.068 1.00 0.00 H new ATOM 0 HB THR A 76 -3.158 11.086 2.095 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.800 12.706 1.105 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.223 10.475 0.647 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.552 9.295 0.545 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.307 10.475 -0.765 1.00 0.00 H new ATOM 780 N ALA A 77 -5.971 13.242 0.342 1.00 0.00 N ATOM 781 CA ALA A 77 -6.838 14.345 0.709 1.00 0.00 C ATOM 782 C ALA A 77 -8.330 14.068 0.399 1.00 0.00 C ATOM 783 O ALA A 77 -9.165 14.926 0.687 1.00 0.00 O ATOM 784 CB ALA A 77 -6.302 15.631 0.081 1.00 0.00 C ATOM 0 H ALA A 77 -5.759 13.223 -0.656 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.820 14.468 1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.949 16.465 0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.293 15.821 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.282 15.525 -1.004 1.00 0.00 H new ATOM 790 N SER A 78 -8.691 12.877 -0.106 1.00 0.00 N ATOM 791 CA SER A 78 -10.087 12.440 -0.220 1.00 0.00 C ATOM 792 C SER A 78 -10.496 11.511 0.929 1.00 0.00 C ATOM 793 O SER A 78 -11.671 11.506 1.283 1.00 0.00 O ATOM 794 CB SER A 78 -10.348 11.762 -1.578 1.00 0.00 C ATOM 795 OG SER A 78 -11.693 11.948 -1.989 1.00 0.00 O ATOM 0 H SER A 78 -8.019 12.190 -0.447 1.00 0.00 H new ATOM 0 HA SER A 78 -10.704 13.336 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.674 12.174 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.131 10.696 -1.504 1.00 0.00 H new ATOM 0 HG SER A 78 -11.932 11.261 -2.646 1.00 0.00 H new ATOM 801 N VAL A 79 -9.585 10.718 1.516 1.00 0.00 N ATOM 802 CA VAL A 79 -9.938 9.762 2.552 1.00 0.00 C ATOM 803 C VAL A 79 -9.836 10.522 3.872 1.00 0.00 C ATOM 804 O VAL A 79 -8.734 10.764 4.384 1.00 0.00 O ATOM 805 CB VAL A 79 -9.107 8.461 2.449 1.00 0.00 C ATOM 806 CG1 VAL A 79 -9.093 7.862 1.042 1.00 0.00 C ATOM 807 CG2 VAL A 79 -7.660 8.511 2.925 1.00 0.00 C ATOM 0 H VAL A 79 -8.593 10.729 1.281 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.955 9.384 2.450 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.655 7.834 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.493 6.952 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.112 7.625 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.664 8.581 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.200 7.531 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.111 9.250 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.633 8.787 3.979 1.00 0.00 H new ATOM 817 N ALA A 80 -10.944 11.100 4.329 1.00 0.00 N ATOM 818 CA ALA A 80 -10.937 11.933 5.519 1.00 0.00 C ATOM 819 C ALA A 80 -10.367 11.150 6.699 1.00 0.00 C ATOM 820 O ALA A 80 -10.727 9.995 6.915 1.00 0.00 O ATOM 821 CB ALA A 80 -12.338 12.429 5.818 1.00 0.00 C ATOM 0 H ALA A 80 -11.859 11.004 3.888 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.301 12.802 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.320 13.052 6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.704 13.014 4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.998 11.577 5.982 1.00 0.00 H new ATOM 827 N GLY A 81 -9.428 11.767 7.414 1.00 0.00 N ATOM 828 CA GLY A 81 -8.545 11.062 8.319 1.00 0.00 C ATOM 829 C GLY A 81 -7.126 11.263 7.843 1.00 0.00 C ATOM 830 O GLY A 81 -6.372 11.978 8.484 1.00 0.00 O ATOM 0 H GLY A 81 -9.264 12.773 7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.662 11.438 9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.792 10.001 8.342 1.00 0.00 H new ATOM 834 N MET A 82 -6.742 10.693 6.702 1.00 0.00 N ATOM 835 CA MET A 82 -5.340 10.563 6.309 1.00 0.00 C ATOM 836 C MET A 82 -4.603 11.903 6.169 1.00 0.00 C ATOM 837 O MET A 82 -3.397 11.975 6.402 1.00 0.00 O ATOM 838 CB MET A 82 -5.312 9.770 5.009 1.00 0.00 C ATOM 839 CG MET A 82 -3.907 9.434 4.529 1.00 0.00 C ATOM 840 SD MET A 82 -3.877 8.541 2.961 1.00 0.00 S ATOM 841 CE MET A 82 -4.606 6.958 3.434 1.00 0.00 C ATOM 0 H MET A 82 -7.397 10.307 6.022 1.00 0.00 H new ATOM 0 HA MET A 82 -4.800 10.046 7.102 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.871 8.844 5.146 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.825 10.340 4.234 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.337 10.357 4.423 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.405 8.835 5.289 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.040 6.480 2.556 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.834 6.313 3.854 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.385 7.124 4.179 1.00 0.00 H new ATOM 851 N ASN A 83 -5.301 12.990 5.853 1.00 0.00 N ATOM 852 CA ASN A 83 -4.723 14.337 5.838 1.00 0.00 C ATOM 853 C ASN A 83 -4.364 14.854 7.244 1.00 0.00 C ATOM 854 O ASN A 83 -3.882 15.976 7.370 1.00 0.00 O ATOM 855 CB ASN A 83 -5.661 15.322 5.128 1.00 0.00 C ATOM 856 CG ASN A 83 -7.058 15.383 5.728 1.00 0.00 C ATOM 857 OD1 ASN A 83 -7.407 16.284 6.481 1.00 0.00 O ATOM 858 ND2 ASN A 83 -7.887 14.418 5.364 1.00 0.00 N ATOM 0 H ASN A 83 -6.288 12.965 5.598 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.789 14.266 5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.218 16.318 5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.739 15.042 4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.846 14.411 5.712 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.567 13.681 4.735 1.00 0.00 H new ATOM 865 N LEU A 84 -4.579 14.061 8.293 1.00 0.00 N ATOM 866 CA LEU A 84 -4.387 14.363 9.707 1.00 0.00 C ATOM 867 C LEU A 84 -3.503 13.273 10.343 1.00 0.00 C ATOM 868 O LEU A 84 -3.284 13.269 11.555 1.00 0.00 O ATOM 869 CB LEU A 84 -5.758 14.419 10.420 1.00 0.00 C ATOM 870 CG LEU A 84 -6.898 15.154 9.680 1.00 0.00 C ATOM 871 CD1 LEU A 84 -8.263 14.795 10.268 1.00 0.00 C ATOM 872 CD2 LEU A 84 -6.717 16.674 9.700 1.00 0.00 C ATOM 0 H LEU A 84 -4.921 13.109 8.161 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.897 15.331 9.812 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.082 13.397 10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.618 14.898 11.389 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.855 14.820 8.643 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.044 15.328 9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.427 13.721 10.178 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.292 15.080 11.320 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.543 17.146 9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.703 17.025 10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.776 16.935 9.215 1.00 0.00 H new ATOM 884 N LEU A 85 -3.040 12.307 9.545 1.00 0.00 N ATOM 885 CA LEU A 85 -2.019 11.321 9.871 1.00 0.00 C ATOM 886 C LEU A 85 -0.668 11.930 9.483 1.00 0.00 C ATOM 887 O LEU A 85 -0.628 12.948 8.789 1.00 0.00 O ATOM 888 CB LEU A 85 -2.311 10.038 9.061 1.00 0.00 C ATOM 889 CG LEU A 85 -3.420 9.114 9.620 1.00 0.00 C ATOM 890 CD1 LEU A 85 -2.783 8.091 10.552 1.00 0.00 C ATOM 891 CD2 LEU A 85 -4.553 9.789 10.395 1.00 0.00 C ATOM 0 H LEU A 85 -3.394 12.190 8.596 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.010 11.063 10.930 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.586 10.328 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.389 9.461 8.989 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.882 8.684 8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.555 7.434 10.953 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.054 7.499 9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.284 8.607 11.372 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.263 9.034 10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.142 10.312 11.258 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.062 10.502 9.747 1.00 0.00 H new ATOM 903 N ALA A 86 0.437 11.318 9.906 1.00 0.00 N ATOM 904 CA ALA A 86 1.758 11.758 9.500 1.00 0.00 C ATOM 905 C ALA A 86 2.059 11.275 8.086 1.00 0.00 C ATOM 906 O ALA A 86 1.327 10.468 7.513 1.00 0.00 O ATOM 907 CB ALA A 86 2.798 11.239 10.495 1.00 0.00 C ATOM 0 H ALA A 86 0.436 10.513 10.532 1.00 0.00 H new ATOM 0 HA ALA A 86 1.796 12.847 9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.791 11.570 10.190 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.576 11.627 11.489 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.769 10.150 10.516 1.00 0.00 H new ATOM 913 N ASP A 87 3.178 11.750 7.545 1.00 0.00 N ATOM 914 CA ASP A 87 3.688 11.390 6.233 1.00 0.00 C ATOM 915 C ASP A 87 3.868 9.878 6.178 1.00 0.00 C ATOM 916 O ASP A 87 3.153 9.224 5.419 1.00 0.00 O ATOM 917 CB ASP A 87 4.974 12.168 5.914 1.00 0.00 C ATOM 918 CG ASP A 87 4.690 13.637 5.587 1.00 0.00 C ATOM 919 OD1 ASP A 87 3.761 13.931 4.795 1.00 0.00 O ATOM 920 OD2 ASP A 87 5.355 14.529 6.165 1.00 0.00 O ATOM 0 H ASP A 87 3.774 12.421 8.030 1.00 0.00 H new ATOM 0 HA ASP A 87 2.976 11.671 5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.653 12.111 6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.481 11.700 5.070 1.00 0.00 H new ATOM 926 N ASP A 88 4.694 9.298 7.056 1.00 0.00 N ATOM 927 CA ASP A 88 4.991 7.858 7.006 1.00 0.00 C ATOM 928 C ASP A 88 4.267 7.119 8.088 1.00 0.00 C ATOM 929 O ASP A 88 4.785 6.213 8.743 1.00 0.00 O ATOM 930 CB ASP A 88 6.485 7.563 7.075 1.00 0.00 C ATOM 931 CG ASP A 88 6.884 6.448 6.098 1.00 0.00 C ATOM 932 OD1 ASP A 88 6.365 6.456 4.955 1.00 0.00 O ATOM 933 OD2 ASP A 88 7.682 5.562 6.486 1.00 0.00 O ATOM 0 H ASP A 88 5.168 9.799 7.807 1.00 0.00 H new ATOM 0 HA ASP A 88 4.635 7.506 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.047 8.468 6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.753 7.271 8.091 1.00 0.00 H new ATOM 939 N ALA A 89 3.040 7.545 8.312 1.00 0.00 N ATOM 940 CA ALA A 89 2.175 6.801 9.168 1.00 0.00 C ATOM 941 C ALA A 89 1.698 5.596 8.370 1.00 0.00 C ATOM 942 O ALA A 89 1.282 5.794 7.225 1.00 0.00 O ATOM 943 CB ALA A 89 1.011 7.714 9.514 1.00 0.00 C ATOM 0 H ALA A 89 2.635 8.392 7.914 1.00 0.00 H new ATOM 0 HA ALA A 89 2.659 6.463 10.084 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.318 7.187 10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.385 8.604 10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.494 8.006 8.600 1.00 0.00 H new ATOM 949 N CYS A 90 1.681 4.393 8.938 1.00 0.00 N ATOM 950 CA CYS A 90 0.921 3.293 8.350 1.00 0.00 C ATOM 951 C CYS A 90 -0.551 3.720 8.284 1.00 0.00 C ATOM 952 O CYS A 90 -1.058 4.319 9.243 1.00 0.00 O ATOM 953 CB CYS A 90 1.108 2.016 9.175 1.00 0.00 C ATOM 954 SG CYS A 90 2.829 1.465 9.290 1.00 0.00 S ATOM 0 H CYS A 90 2.179 4.156 9.796 1.00 0.00 H new ATOM 0 HA CYS A 90 1.276 3.071 7.344 1.00 0.00 H new ATOM 0 HB2 CYS A 90 0.722 2.185 10.180 1.00 0.00 H new ATOM 0 HB3 CYS A 90 0.510 1.219 8.734 1.00 0.00 H new ATOM 0 HG CYS A 90 2.930 0.257 8.820 1.00 0.00 H new ATOM 960 N VAL A 91 -1.236 3.445 7.171 1.00 0.00 N ATOM 961 CA VAL A 91 -2.630 3.818 6.958 1.00 0.00 C ATOM 962 C VAL A 91 -3.378 2.611 6.380 1.00 0.00 C ATOM 963 O VAL A 91 -2.961 2.102 5.336 1.00 0.00 O ATOM 964 CB VAL A 91 -2.777 5.075 6.068 1.00 0.00 C ATOM 965 CG1 VAL A 91 -4.050 5.806 6.522 1.00 0.00 C ATOM 966 CG2 VAL A 91 -1.620 6.075 6.131 1.00 0.00 C ATOM 0 H VAL A 91 -0.826 2.948 6.380 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.073 4.092 7.916 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.802 4.718 5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.191 6.702 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.910 5.148 6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.953 6.088 7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.829 6.915 5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.507 6.437 7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.698 5.585 5.816 1.00 0.00 H new ATOM 976 N PRO A 92 -4.453 2.121 7.020 1.00 0.00 N ATOM 977 CA PRO A 92 -5.089 0.884 6.613 1.00 0.00 C ATOM 978 C PRO A 92 -5.858 1.075 5.338 1.00 0.00 C ATOM 979 O PRO A 92 -6.697 1.979 5.237 1.00 0.00 O ATOM 980 CB PRO A 92 -6.069 0.509 7.683 1.00 0.00 C ATOM 981 CG PRO A 92 -6.414 1.843 8.352 1.00 0.00 C ATOM 982 CD PRO A 92 -5.163 2.704 8.143 1.00 0.00 C ATOM 0 HA PRO A 92 -4.327 0.119 6.461 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.955 0.032 7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.635 -0.194 8.394 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.293 2.301 7.898 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.635 1.712 9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.433 3.740 7.937 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.540 2.709 9.037 1.00 0.00 H new ATOM 990 N LEU A 93 -5.620 0.181 4.390 1.00 0.00 N ATOM 991 CA LEU A 93 -6.132 0.440 3.080 1.00 0.00 C ATOM 992 C LEU A 93 -7.616 0.120 2.994 1.00 0.00 C ATOM 993 O LEU A 93 -8.347 0.889 2.383 1.00 0.00 O ATOM 994 CB LEU A 93 -5.290 -0.264 2.013 1.00 0.00 C ATOM 995 CG LEU A 93 -5.591 0.219 0.581 1.00 0.00 C ATOM 996 CD1 LEU A 93 -5.624 1.747 0.461 1.00 0.00 C ATOM 997 CD2 LEU A 93 -4.497 -0.279 -0.362 1.00 0.00 C ATOM 0 H LEU A 93 -5.099 -0.688 4.506 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.047 1.507 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.234 -0.102 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.467 -1.338 2.071 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.574 -0.176 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.840 2.026 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.399 2.147 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.656 2.156 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.708 0.061 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.533 0.114 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.469 -1.368 -0.344 1.00 0.00 H new ATOM 1009 N THR A 94 -8.076 -0.955 3.633 1.00 0.00 N ATOM 1010 CA THR A 94 -9.484 -1.331 3.579 1.00 0.00 C ATOM 1011 C THR A 94 -10.350 -0.571 4.596 1.00 0.00 C ATOM 1012 O THR A 94 -11.576 -0.636 4.528 1.00 0.00 O ATOM 1013 CB THR A 94 -9.586 -2.866 3.671 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.861 -3.311 3.282 1.00 0.00 O ATOM 1015 CG2 THR A 94 -9.290 -3.427 5.061 1.00 0.00 C ATOM 0 H THR A 94 -7.494 -1.578 4.192 1.00 0.00 H new ATOM 0 HA THR A 94 -9.907 -1.024 2.623 1.00 0.00 H new ATOM 0 HB THR A 94 -8.818 -3.236 2.991 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.115 -2.879 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.383 -4.513 5.042 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.276 -3.154 5.355 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.999 -3.015 5.778 1.00 0.00 H new ATOM 1023 N THR A 95 -9.730 0.157 5.529 1.00 0.00 N ATOM 1024 CA THR A 95 -10.373 0.533 6.786 1.00 0.00 C ATOM 1025 C THR A 95 -10.463 2.050 6.956 1.00 0.00 C ATOM 1026 O THR A 95 -11.380 2.547 7.616 1.00 0.00 O ATOM 1027 CB THR A 95 -9.532 -0.046 7.924 1.00 0.00 C ATOM 1028 OG1 THR A 95 -9.010 -1.332 7.619 1.00 0.00 O ATOM 1029 CG2 THR A 95 -10.218 -0.114 9.277 1.00 0.00 C ATOM 0 H THR A 95 -8.774 0.499 5.433 1.00 0.00 H new ATOM 0 HA THR A 95 -11.391 0.144 6.791 1.00 0.00 H new ATOM 0 HB THR A 95 -8.724 0.681 8.010 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.479 -1.658 8.376 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.534 -0.540 10.011 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.507 0.890 9.589 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.107 -0.741 9.203 1.00 0.00 H new ATOM 1037 N MET A 96 -9.487 2.800 6.434 1.00 0.00 N ATOM 1038 CA MET A 96 -9.605 4.245 6.349 1.00 0.00 C ATOM 1039 C MET A 96 -10.639 4.523 5.254 1.00 0.00 C ATOM 1040 O MET A 96 -11.611 5.239 5.467 1.00 0.00 O ATOM 1041 CB MET A 96 -8.215 4.825 6.033 1.00 0.00 C ATOM 1042 CG MET A 96 -8.197 6.326 5.727 1.00 0.00 C ATOM 1043 SD MET A 96 -8.646 7.448 7.077 1.00 0.00 S ATOM 1044 CE MET A 96 -7.199 7.346 8.158 1.00 0.00 C ATOM 0 H MET A 96 -8.612 2.425 6.067 1.00 0.00 H new ATOM 0 HA MET A 96 -9.937 4.714 7.275 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.556 4.634 6.880 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.800 4.290 5.179 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.196 6.590 5.386 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.876 6.510 4.894 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.347 7.989 9.026 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.064 6.316 8.489 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.313 7.671 7.612 1.00 0.00 H new ATOM 1054 N VAL A 97 -10.438 3.877 4.107 1.00 0.00 N ATOM 1055 CA VAL A 97 -11.259 3.929 2.907 1.00 0.00 C ATOM 1056 C VAL A 97 -12.483 3.025 3.104 1.00 0.00 C ATOM 1057 O VAL A 97 -12.704 2.463 4.179 1.00 0.00 O ATOM 1058 CB VAL A 97 -10.398 3.459 1.708 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -10.894 3.975 0.342 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -8.918 3.875 1.828 1.00 0.00 C ATOM 0 H VAL A 97 -9.636 3.258 3.987 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.611 4.942 2.711 1.00 0.00 H new ATOM 0 HB VAL A 97 -10.496 2.374 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -10.240 3.603 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.910 3.622 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -10.883 5.065 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.368 3.516 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.848 4.962 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.490 3.441 2.732 1.00 0.00 H new ATOM 1070 N GLN A 98 -13.291 2.918 2.058 1.00 0.00 N ATOM 1071 CA GLN A 98 -14.426 2.043 1.873 1.00 0.00 C ATOM 1072 C GLN A 98 -14.142 1.237 0.602 1.00 0.00 C ATOM 1073 O GLN A 98 -13.606 1.795 -0.360 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.670 2.949 1.798 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.798 2.517 0.851 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.833 3.335 -0.441 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -17.781 4.078 -0.681 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -15.822 3.260 -1.294 1.00 0.00 N ATOM 0 H GLN A 98 -13.147 3.506 1.237 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.601 1.328 2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -16.086 3.035 2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.344 3.946 1.502 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.675 1.462 0.605 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.755 2.615 1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -15.033 2.644 -1.097 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -15.832 3.819 -2.147 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.539 -0.037 0.569 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.471 -0.989 -0.560 1.00 0.00 C ATOM 1089 C ASP A 99 -13.057 -1.353 -1.040 1.00 0.00 C ATOM 1090 O ASP A 99 -12.890 -2.320 -1.782 1.00 0.00 O ATOM 1091 CB ASP A 99 -15.292 -0.472 -1.749 1.00 0.00 C ATOM 1092 CG ASP A 99 -15.588 -1.560 -2.779 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -16.082 -2.644 -2.400 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -15.425 -1.269 -3.985 1.00 0.00 O ATOM 0 H ASP A 99 -14.951 -0.472 1.394 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.891 -1.911 -0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -16.232 -0.058 -1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.751 0.342 -2.232 1.00 0.00 H new ATOM 1100 N ALA A 100 -12.040 -0.591 -0.631 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.641 -0.842 -0.936 1.00 0.00 C ATOM 1102 C ALA A 100 -10.134 -2.087 -0.209 1.00 0.00 C ATOM 1103 O ALA A 100 -10.720 -2.498 0.791 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.853 0.391 -0.487 1.00 0.00 C ATOM 0 H ALA A 100 -12.179 0.243 -0.060 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.515 -1.020 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.794 0.243 -0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.212 1.268 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.991 0.541 0.584 1.00 0.00 H new ATOM 1110 N THR A 101 -9.015 -2.655 -0.665 1.00 0.00 N ATOM 1111 CA THR A 101 -8.472 -3.912 -0.136 1.00 0.00 C ATOM 1112 C THR A 101 -6.946 -3.929 -0.216 1.00 0.00 C ATOM 1113 O THR A 101 -6.354 -3.081 -0.897 1.00 0.00 O ATOM 1114 CB THR A 101 -9.079 -5.139 -0.857 1.00 0.00 C ATOM 1115 OG1 THR A 101 -8.455 -5.405 -2.092 1.00 0.00 O ATOM 1116 CG2 THR A 101 -10.583 -5.054 -1.130 1.00 0.00 C ATOM 0 H THR A 101 -8.455 -2.254 -1.417 1.00 0.00 H new ATOM 0 HA THR A 101 -8.755 -3.974 0.915 1.00 0.00 H new ATOM 0 HB THR A 101 -8.900 -5.941 -0.141 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.872 -6.189 -2.507 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.912 -5.960 -1.638 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.119 -4.952 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.790 -4.189 -1.760 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.305 -4.891 0.465 1.00 0.00 N ATOM 1125 CA ALA A 102 -4.867 -5.098 0.394 1.00 0.00 C ATOM 1126 C ALA A 102 -4.489 -6.566 0.602 1.00 0.00 C ATOM 1127 O ALA A 102 -4.388 -7.044 1.734 1.00 0.00 O ATOM 1128 CB ALA A 102 -4.174 -4.191 1.407 1.00 0.00 C ATOM 0 H ALA A 102 -6.782 -5.548 1.083 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.528 -4.835 -0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.096 -4.345 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.403 -3.150 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.527 -4.430 2.410 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.230 -7.273 -0.497 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.138 -8.735 -0.503 1.00 0.00 C ATOM 1136 C HIS A 103 -2.868 -9.207 -1.205 1.00 0.00 C ATOM 1137 O HIS A 103 -2.638 -8.937 -2.379 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.409 -9.319 -1.141 1.00 0.00 C ATOM 1139 CG HIS A 103 -5.268 -10.749 -1.611 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -4.808 -11.841 -0.897 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -5.395 -11.137 -2.917 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -4.616 -12.838 -1.777 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -4.944 -12.457 -3.020 1.00 0.00 N ATOM 0 H HIS A 103 -4.077 -6.848 -1.412 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.071 -9.099 0.522 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.222 -9.265 -0.417 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.695 -8.697 -1.989 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -5.776 -10.531 -3.726 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.246 -13.819 -1.517 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -4.878 -13.017 -3.870 1.00 0.00 H new ATOM 1152 N LEU A 104 -2.042 -9.958 -0.489 1.00 0.00 N ATOM 1153 CA LEU A 104 -0.798 -10.566 -0.939 1.00 0.00 C ATOM 1154 C LEU A 104 -1.074 -11.845 -1.738 1.00 0.00 C ATOM 1155 O LEU A 104 -1.699 -12.760 -1.205 1.00 0.00 O ATOM 1156 CB LEU A 104 0.000 -10.847 0.348 1.00 0.00 C ATOM 1157 CG LEU A 104 1.016 -11.999 0.321 1.00 0.00 C ATOM 1158 CD1 LEU A 104 2.057 -11.831 -0.759 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.766 -11.980 1.641 1.00 0.00 C ATOM 0 H LEU A 104 -2.237 -10.173 0.489 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.239 -9.918 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.534 -9.936 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.713 -11.047 1.148 1.00 0.00 H new ATOM 0 HG LEU A 104 0.464 -12.922 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.748 -12.673 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.568 -11.794 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.607 -10.905 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.498 -12.788 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.278 -11.024 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.061 -12.114 2.462 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.574 -11.952 -2.972 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.470 -13.214 -3.720 1.00 0.00 C ATOM 1173 C ASP A 105 0.932 -13.777 -3.475 1.00 0.00 C ATOM 1174 O ASP A 105 1.896 -13.342 -4.100 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.757 -13.060 -5.235 1.00 0.00 C ATOM 1176 CG ASP A 105 -1.562 -14.257 -5.743 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -0.984 -15.104 -6.454 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -2.730 -14.428 -5.311 1.00 0.00 O ATOM 0 H ASP A 105 -0.222 -11.148 -3.492 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.237 -13.900 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.309 -12.138 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.181 -12.983 -5.785 1.00 0.00 H new ATOM 1184 N VAL A 106 1.111 -14.623 -2.460 1.00 0.00 N ATOM 1185 CA VAL A 106 2.442 -15.016 -1.988 1.00 0.00 C ATOM 1186 C VAL A 106 3.086 -16.057 -2.896 1.00 0.00 C ATOM 1187 O VAL A 106 4.314 -16.132 -2.953 1.00 0.00 O ATOM 1188 CB VAL A 106 2.323 -15.509 -0.530 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.778 -16.934 -0.387 1.00 0.00 C ATOM 1190 CG2 VAL A 106 3.651 -15.382 0.221 1.00 0.00 C ATOM 0 H VAL A 106 0.344 -15.054 -1.944 1.00 0.00 H new ATOM 0 HA VAL A 106 3.105 -14.151 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 106 1.584 -14.847 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.727 -17.200 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.780 -16.988 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.438 -17.630 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.526 -15.739 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.412 -15.979 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.962 -14.337 0.237 1.00 0.00 H new ATOM 1200 N GLY A 107 2.280 -16.844 -3.612 1.00 0.00 N ATOM 1201 CA GLY A 107 2.790 -17.931 -4.421 1.00 0.00 C ATOM 1202 C GLY A 107 3.273 -17.443 -5.782 1.00 0.00 C ATOM 1203 O GLY A 107 4.058 -18.136 -6.426 1.00 0.00 O ATOM 0 H GLY A 107 1.266 -16.740 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.611 -18.420 -3.897 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.009 -18.679 -4.559 1.00 0.00 H new ATOM 1207 N GLN A 108 2.849 -16.241 -6.185 1.00 0.00 N ATOM 1208 CA GLN A 108 3.259 -15.505 -7.379 1.00 0.00 C ATOM 1209 C GLN A 108 3.892 -14.164 -6.984 1.00 0.00 C ATOM 1210 O GLN A 108 4.000 -13.269 -7.816 1.00 0.00 O ATOM 1211 CB GLN A 108 2.029 -15.314 -8.280 1.00 0.00 C ATOM 1212 CG GLN A 108 1.609 -16.628 -8.949 1.00 0.00 C ATOM 1213 CD GLN A 108 2.216 -16.750 -10.343 1.00 0.00 C ATOM 1214 OE1 GLN A 108 3.417 -16.939 -10.519 1.00 0.00 O ATOM 1215 NE2 GLN A 108 1.406 -16.617 -11.380 1.00 0.00 N ATOM 0 H GLN A 108 2.159 -15.721 -5.643 1.00 0.00 H new ATOM 0 HA GLN A 108 4.015 -16.064 -7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.200 -14.926 -7.688 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.250 -14.570 -9.045 1.00 0.00 H new ATOM 0 HG2 GLN A 108 1.927 -17.471 -8.335 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.522 -16.675 -9.016 1.00 0.00 H new ATOM 0 HE21 GLN A 108 0.409 -16.460 -11.232 1.00 0.00 H new ATOM 0 HE22 GLN A 108 1.778 -16.671 -12.328 1.00 0.00 H new ATOM 1224 N GLN A 109 4.269 -14.026 -5.708 1.00 0.00 N ATOM 1225 CA GLN A 109 4.895 -12.870 -5.082 1.00 0.00 C ATOM 1226 C GLN A 109 4.450 -11.531 -5.701 1.00 0.00 C ATOM 1227 O GLN A 109 5.203 -10.848 -6.395 1.00 0.00 O ATOM 1228 CB GLN A 109 6.417 -13.121 -5.012 1.00 0.00 C ATOM 1229 CG GLN A 109 6.788 -13.699 -3.641 1.00 0.00 C ATOM 1230 CD GLN A 109 8.278 -13.600 -3.348 1.00 0.00 C ATOM 1231 OE1 GLN A 109 9.044 -14.547 -3.501 1.00 0.00 O ATOM 1232 NE2 GLN A 109 8.695 -12.437 -2.881 1.00 0.00 N ATOM 0 H GLN A 109 4.131 -14.783 -5.039 1.00 0.00 H new ATOM 0 HA GLN A 109 4.547 -12.756 -4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.717 -13.811 -5.801 1.00 0.00 H new ATOM 0 HB3 GLN A 109 6.956 -12.189 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.233 -13.171 -2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.481 -14.744 -3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.035 -11.668 -2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.677 -12.308 -2.637 1.00 0.00 H new ATOM 1241 N ARG A 110 3.210 -11.132 -5.405 1.00 0.00 N ATOM 1242 CA ARG A 110 2.568 -9.917 -5.919 1.00 0.00 C ATOM 1243 C ARG A 110 1.746 -9.314 -4.779 1.00 0.00 C ATOM 1244 O ARG A 110 1.599 -9.922 -3.712 1.00 0.00 O ATOM 1245 CB ARG A 110 1.781 -10.303 -7.200 1.00 0.00 C ATOM 1246 CG ARG A 110 1.074 -9.177 -7.984 1.00 0.00 C ATOM 1247 CD ARG A 110 0.229 -9.666 -9.181 1.00 0.00 C ATOM 1248 NE ARG A 110 1.028 -9.969 -10.387 1.00 0.00 N ATOM 1249 CZ ARG A 110 0.710 -9.667 -11.658 1.00 0.00 C ATOM 1250 NH1 ARG A 110 -0.450 -9.105 -11.976 1.00 0.00 N ATOM 1251 NH2 ARG A 110 1.546 -9.925 -12.657 1.00 0.00 N ATOM 0 H ARG A 110 2.604 -11.663 -4.780 1.00 0.00 H new ATOM 0 HA ARG A 110 3.263 -9.136 -6.229 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.473 -10.799 -7.880 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.027 -11.039 -6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.429 -8.625 -7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.826 -8.477 -8.348 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.320 -10.560 -8.886 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.511 -8.904 -9.428 1.00 0.00 H new ATOM 0 HE ARG A 110 1.911 -10.457 -10.240 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.130 -8.890 -11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.662 -8.888 -12.950 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.449 -10.360 -12.467 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.285 -9.688 -13.614 1.00 0.00 H new ATOM 1265 N LEU A 111 1.260 -8.082 -4.950 1.00 0.00 N ATOM 1266 CA LEU A 111 0.446 -7.378 -3.960 1.00 0.00 C ATOM 1267 C LEU A 111 -0.763 -6.793 -4.674 1.00 0.00 C ATOM 1268 O LEU A 111 -0.573 -5.813 -5.377 1.00 0.00 O ATOM 1269 CB LEU A 111 1.229 -6.310 -3.190 1.00 0.00 C ATOM 1270 CG LEU A 111 0.429 -5.674 -2.049 1.00 0.00 C ATOM 1271 CD1 LEU A 111 -0.068 -6.701 -1.028 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.338 -4.652 -1.367 1.00 0.00 C ATOM 0 H LEU A 111 1.425 -7.537 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 111 0.123 -8.088 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.136 -6.758 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.543 -5.529 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.463 -5.204 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.628 -6.192 -0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.715 -7.424 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.784 -7.219 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.800 -4.177 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.223 -5.155 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.640 -3.894 -2.090 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.949 -7.390 -4.558 1.00 0.00 N ATOM 1285 CA ASN A 112 -3.189 -6.907 -5.166 1.00 0.00 C ATOM 1286 C ASN A 112 -3.907 -5.975 -4.185 1.00 0.00 C ATOM 1287 O ASN A 112 -4.605 -6.435 -3.278 1.00 0.00 O ATOM 1288 CB ASN A 112 -4.142 -8.061 -5.527 1.00 0.00 C ATOM 1289 CG ASN A 112 -3.810 -8.752 -6.842 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -3.985 -8.176 -7.909 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -3.360 -9.995 -6.817 1.00 0.00 N ATOM 0 H ASN A 112 -2.077 -8.249 -4.022 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.921 -6.381 -6.082 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -4.121 -8.799 -4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.160 -7.675 -5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.156 -10.481 -7.690 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -3.217 -10.468 -5.925 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.750 -4.665 -4.338 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.540 -3.650 -3.651 1.00 0.00 C ATOM 1300 C LEU A 113 -5.709 -3.218 -4.536 1.00 0.00 C ATOM 1301 O LEU A 113 -5.683 -3.417 -5.751 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.696 -2.404 -3.346 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.339 -2.577 -2.649 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -2.357 -3.573 -1.500 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -1.190 -2.807 -3.630 1.00 0.00 C ATOM 0 H LEU A 113 -3.048 -4.268 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.898 -4.086 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.518 -1.888 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.301 -1.740 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.139 -1.615 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.362 -3.639 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.068 -3.242 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.654 -4.553 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.257 -2.922 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.382 -3.710 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.110 -1.953 -4.303 1.00 0.00 H new ATOM 1317 N THR A 114 -6.696 -2.523 -3.978 1.00 0.00 N ATOM 1318 CA THR A 114 -7.837 -1.992 -4.729 1.00 0.00 C ATOM 1319 C THR A 114 -8.281 -0.689 -4.062 1.00 0.00 C ATOM 1320 O THR A 114 -8.216 -0.622 -2.836 1.00 0.00 O ATOM 1321 CB THR A 114 -8.936 -3.071 -4.726 1.00 0.00 C ATOM 1322 OG1 THR A 114 -8.408 -4.267 -5.284 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.179 -2.669 -5.515 1.00 0.00 C ATOM 0 H THR A 114 -6.730 -2.309 -2.981 1.00 0.00 H new ATOM 0 HA THR A 114 -7.591 -1.762 -5.766 1.00 0.00 H new ATOM 0 HB THR A 114 -9.244 -3.210 -3.690 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.100 -4.961 -5.285 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.913 -3.474 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.607 -1.764 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.906 -2.482 -6.554 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.696 0.330 -4.830 1.00 0.00 N ATOM 1332 CA ILE A 115 -9.286 1.591 -4.355 1.00 0.00 C ATOM 1333 C ILE A 115 -10.316 2.073 -5.391 1.00 0.00 C ATOM 1334 O ILE A 115 -9.990 2.079 -6.582 1.00 0.00 O ATOM 1335 CB ILE A 115 -8.224 2.704 -4.145 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -7.046 2.207 -3.287 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.845 3.934 -3.456 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -6.021 3.293 -2.971 1.00 0.00 C ATOM 0 H ILE A 115 -8.626 0.296 -5.847 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.752 1.397 -3.389 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.858 2.978 -5.134 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.433 1.801 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.548 1.389 -3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -8.081 4.699 -3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.650 4.330 -4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.244 3.644 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.220 2.872 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.605 3.683 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.505 4.101 -2.423 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.522 2.500 -4.977 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.473 3.158 -5.868 1.00 0.00 C ATOM 1352 C PRO A 116 -12.012 4.554 -6.309 1.00 0.00 C ATOM 1353 O PRO A 116 -11.258 5.240 -5.615 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.791 3.244 -5.097 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.461 2.932 -3.641 1.00 0.00 C ATOM 1356 CD PRO A 116 -12.049 2.361 -3.628 1.00 0.00 C ATOM 0 HA PRO A 116 -12.573 2.584 -6.789 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -14.232 4.237 -5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.518 2.534 -5.491 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.521 3.832 -3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -14.172 2.217 -3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.424 2.895 -2.913 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -12.059 1.314 -3.324 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.578 5.039 -7.417 1.00 0.00 N ATOM 1365 CA GLN A 117 -12.222 6.291 -8.075 1.00 0.00 C ATOM 1366 C GLN A 117 -12.582 7.518 -7.229 1.00 0.00 C ATOM 1367 O GLN A 117 -12.147 8.636 -7.508 1.00 0.00 O ATOM 1368 CB GLN A 117 -12.954 6.391 -9.421 1.00 0.00 C ATOM 1369 CG GLN A 117 -12.343 5.467 -10.477 1.00 0.00 C ATOM 1370 CD GLN A 117 -12.685 4.003 -10.231 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -13.839 3.594 -10.380 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -11.738 3.227 -9.741 1.00 0.00 N ATOM 0 H GLN A 117 -13.330 4.545 -7.898 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.141 6.283 -8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.005 6.137 -9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.919 7.421 -9.777 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.700 5.760 -11.464 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -11.260 5.589 -10.481 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.791 3.588 -9.627 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.953 2.266 -9.476 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.412 7.309 -6.208 1.00 0.00 N ATOM 1382 CA ALA A 118 -13.777 8.277 -5.178 1.00 0.00 C ATOM 1383 C ALA A 118 -12.558 8.835 -4.438 1.00 0.00 C ATOM 1384 O ALA A 118 -12.606 9.953 -3.919 1.00 0.00 O ATOM 1385 CB ALA A 118 -14.737 7.615 -4.186 1.00 0.00 C ATOM 0 H ALA A 118 -13.873 6.409 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 118 -14.261 9.121 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.014 8.333 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.633 7.284 -4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.249 6.756 -3.725 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.461 8.075 -4.386 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.342 8.417 -3.526 1.00 0.00 C ATOM 1393 C PHE A 119 -9.017 8.362 -4.275 1.00 0.00 C ATOM 1394 O PHE A 119 -8.023 7.934 -3.718 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.344 7.497 -2.302 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.653 7.428 -1.543 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.021 8.411 -0.608 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -12.506 6.339 -1.765 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.194 8.263 0.147 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -13.687 6.196 -1.022 1.00 0.00 C ATOM 1401 CZ PHE A 119 -14.029 7.154 -0.057 1.00 0.00 C ATOM 0 H PHE A 119 -11.331 7.222 -4.930 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.458 9.447 -3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -10.077 6.491 -2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.564 7.830 -1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -11.399 9.283 -0.470 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -12.252 5.604 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -13.455 9.005 0.887 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -14.333 5.348 -1.193 1.00 0.00 H new ATOM 0 HZ PHE A 119 -14.931 7.039 0.526 1.00 0.00 H new ATOM 1411 N MET A 120 -8.930 8.803 -5.522 1.00 0.00 N ATOM 1412 CA MET A 120 -7.775 8.485 -6.363 1.00 0.00 C ATOM 1413 C MET A 120 -7.238 9.811 -6.950 1.00 0.00 C ATOM 1414 O MET A 120 -7.926 10.445 -7.755 1.00 0.00 O ATOM 1415 CB MET A 120 -8.304 7.530 -7.452 1.00 0.00 C ATOM 1416 CG MET A 120 -7.257 6.628 -8.093 1.00 0.00 C ATOM 1417 SD MET A 120 -7.103 4.973 -7.386 1.00 0.00 S ATOM 1418 CE MET A 120 -5.625 4.481 -8.308 1.00 0.00 C ATOM 0 H MET A 120 -9.639 9.379 -5.976 1.00 0.00 H new ATOM 0 HA MET A 120 -6.954 8.008 -5.828 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.081 6.903 -7.015 1.00 0.00 H new ATOM 0 HB3 MET A 120 -8.776 8.124 -8.235 1.00 0.00 H new ATOM 0 HG2 MET A 120 -7.491 6.529 -9.153 1.00 0.00 H new ATOM 0 HG3 MET A 120 -6.288 7.123 -8.025 1.00 0.00 H new ATOM 0 HE1 MET A 120 -5.797 3.515 -8.782 1.00 0.00 H new ATOM 0 HE2 MET A 120 -5.408 5.227 -9.073 1.00 0.00 H new ATOM 0 HE3 MET A 120 -4.779 4.405 -7.625 1.00 0.00 H new ATOM 1428 N SER A 121 -6.069 10.300 -6.531 1.00 0.00 N ATOM 1429 CA SER A 121 -5.372 11.495 -7.034 1.00 0.00 C ATOM 1430 C SER A 121 -3.883 11.376 -6.669 1.00 0.00 C ATOM 1431 O SER A 121 -3.511 10.540 -5.847 1.00 0.00 O ATOM 1432 CB SER A 121 -5.960 12.801 -6.460 1.00 0.00 C ATOM 1433 OG SER A 121 -5.802 13.925 -7.318 1.00 0.00 O ATOM 0 H SER A 121 -5.546 9.845 -5.782 1.00 0.00 H new ATOM 0 HA SER A 121 -5.501 11.544 -8.115 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.021 12.654 -6.260 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.482 13.015 -5.504 1.00 0.00 H new ATOM 0 HG SER A 121 -6.331 14.675 -6.975 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.037 12.245 -7.230 1.00 0.00 N ATOM 1440 CA ASN A 122 -1.700 12.547 -6.713 1.00 0.00 C ATOM 1441 C ASN A 122 -1.842 13.562 -5.568 1.00 0.00 C ATOM 1442 O ASN A 122 -2.814 13.501 -4.817 1.00 0.00 O ATOM 1443 CB ASN A 122 -0.768 13.024 -7.845 1.00 0.00 C ATOM 1444 CG ASN A 122 -0.545 11.940 -8.883 1.00 0.00 C ATOM 1445 OD1 ASN A 122 -0.139 10.832 -8.536 1.00 0.00 O ATOM 1446 ND2 ASN A 122 -0.805 12.225 -10.141 1.00 0.00 N ATOM 0 H ASN A 122 -3.268 12.769 -8.074 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.229 11.650 -6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -1.198 13.904 -8.324 1.00 0.00 H new ATOM 0 HB3 ASN A 122 0.191 13.327 -7.424 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -0.671 11.517 -10.863 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -1.141 13.154 -10.395 1.00 0.00 H new ATOM 1453 N ARG A 123 -0.896 14.506 -5.426 1.00 0.00 N ATOM 1454 CA ARG A 123 -0.942 15.620 -4.467 1.00 0.00 C ATOM 1455 C ARG A 123 -1.171 15.128 -3.040 1.00 0.00 C ATOM 1456 O ARG A 123 -2.179 15.421 -2.401 1.00 0.00 O ATOM 1457 CB ARG A 123 -1.846 16.791 -4.917 1.00 0.00 C ATOM 1458 CG ARG A 123 -3.069 16.444 -5.770 1.00 0.00 C ATOM 1459 CD ARG A 123 -3.712 17.720 -6.303 1.00 0.00 C ATOM 1460 NE ARG A 123 -5.001 17.430 -6.935 1.00 0.00 N ATOM 1461 CZ ARG A 123 -5.804 18.330 -7.507 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -5.396 19.571 -7.766 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -7.038 17.958 -7.800 1.00 0.00 N ATOM 0 H ARG A 123 -0.050 14.514 -5.996 1.00 0.00 H new ATOM 0 HA ARG A 123 0.049 16.074 -4.455 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -2.193 17.312 -4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.232 17.495 -5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -2.774 15.802 -6.600 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -3.791 15.884 -5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -3.854 18.429 -5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -3.047 18.193 -7.025 1.00 0.00 H new ATOM 0 HE ARG A 123 -5.311 16.458 -6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -4.446 19.856 -7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -6.033 20.236 -8.204 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -7.349 17.010 -7.588 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -7.680 18.619 -8.238 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.179 14.410 -2.511 1.00 0.00 N ATOM 1478 CA ALA A 124 -0.250 13.799 -1.190 1.00 0.00 C ATOM 1479 C ALA A 124 -0.251 14.799 -0.026 1.00 0.00 C ATOM 1480 O ALA A 124 -0.416 14.364 1.118 1.00 0.00 O ATOM 1481 CB ALA A 124 0.936 12.856 -0.991 1.00 0.00 C ATOM 0 H ALA A 124 0.702 14.237 -2.994 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.205 13.273 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.878 12.402 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.911 12.075 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.866 13.418 -1.078 1.00 0.00 H new ATOM 1487 N ARG A 125 -0.024 16.096 -0.280 1.00 0.00 N ATOM 1488 CA ARG A 125 0.254 17.123 0.729 1.00 0.00 C ATOM 1489 C ARG A 125 1.416 16.683 1.619 1.00 0.00 C ATOM 1490 O ARG A 125 1.306 16.538 2.837 1.00 0.00 O ATOM 1491 CB ARG A 125 -1.038 17.494 1.464 1.00 0.00 C ATOM 1492 CG ARG A 125 -1.915 18.448 0.636 1.00 0.00 C ATOM 1493 CD ARG A 125 -1.615 19.915 0.957 1.00 0.00 C ATOM 1494 NE ARG A 125 -2.124 20.311 2.286 1.00 0.00 N ATOM 1495 CZ ARG A 125 -1.396 20.603 3.372 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -0.070 20.657 3.341 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -1.983 20.839 4.538 1.00 0.00 N ATOM 0 H ARG A 125 -0.030 16.470 -1.229 1.00 0.00 H new ATOM 0 HA ARG A 125 0.592 18.049 0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.600 16.588 1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.792 17.962 2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.748 18.266 -0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.966 18.240 0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -0.538 20.081 0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.063 20.551 0.194 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.137 20.368 2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.428 20.473 2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.451 20.883 4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -2.999 20.799 4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.418 21.060 5.358 1.00 0.00 H new ATOM 1511 N GLY A 126 2.556 16.491 0.967 1.00 0.00 N ATOM 1512 CA GLY A 126 3.838 16.161 1.550 1.00 0.00 C ATOM 1513 C GLY A 126 4.744 15.813 0.393 1.00 0.00 C ATOM 1514 O GLY A 126 5.564 16.638 -0.012 1.00 0.00 O ATOM 0 H GLY A 126 2.606 16.568 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.236 17.002 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.748 15.323 2.241 1.00 0.00 H new ATOM 1518 N TYR A 127 4.469 14.650 -0.201 1.00 0.00 N ATOM 1519 CA TYR A 127 5.288 13.927 -1.163 1.00 0.00 C ATOM 1520 C TYR A 127 6.584 13.457 -0.516 1.00 0.00 C ATOM 1521 O TYR A 127 7.406 14.243 -0.053 1.00 0.00 O ATOM 1522 CB TYR A 127 5.540 14.686 -2.474 1.00 0.00 C ATOM 1523 CG TYR A 127 6.574 14.039 -3.377 1.00 0.00 C ATOM 1524 CD1 TYR A 127 6.696 12.638 -3.456 1.00 0.00 C ATOM 1525 CD2 TYR A 127 7.505 14.848 -4.051 1.00 0.00 C ATOM 1526 CE1 TYR A 127 7.760 12.045 -4.129 1.00 0.00 C ATOM 1527 CE2 TYR A 127 8.570 14.259 -4.752 1.00 0.00 C ATOM 1528 CZ TYR A 127 8.716 12.854 -4.774 1.00 0.00 C ATOM 1529 OH TYR A 127 9.794 12.286 -5.372 1.00 0.00 O ATOM 0 H TYR A 127 3.599 14.155 -0.003 1.00 0.00 H new ATOM 0 HA TYR A 127 4.708 13.053 -1.460 1.00 0.00 H new ATOM 0 HB2 TYR A 127 4.600 14.770 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 127 5.863 15.700 -2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 127 5.951 12.013 -2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.401 15.923 -4.030 1.00 0.00 H new ATOM 0 HE1 TYR A 127 7.852 10.969 -4.157 1.00 0.00 H new ATOM 0 HE2 TYR A 127 9.280 14.882 -5.276 1.00 0.00 H new ATOM 0 HH TYR A 127 10.353 12.985 -5.770 1.00 0.00 H new ATOM 1539 N ILE A 128 6.748 12.142 -0.510 1.00 0.00 N ATOM 1540 CA ILE A 128 7.868 11.418 0.027 1.00 0.00 C ATOM 1541 C ILE A 128 8.224 10.422 -1.086 1.00 0.00 C ATOM 1542 O ILE A 128 7.352 9.647 -1.509 1.00 0.00 O ATOM 1543 CB ILE A 128 7.469 10.726 1.333 1.00 0.00 C ATOM 1544 CG1 ILE A 128 6.826 11.719 2.327 1.00 0.00 C ATOM 1545 CG2 ILE A 128 8.643 9.964 1.963 1.00 0.00 C ATOM 1546 CD1 ILE A 128 5.289 11.716 2.221 1.00 0.00 C ATOM 0 H ILE A 128 6.047 11.519 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 128 8.720 12.047 0.286 1.00 0.00 H new ATOM 0 HB ILE A 128 6.712 9.983 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 128 7.121 11.459 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 128 7.202 12.723 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 128 8.314 9.489 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 128 8.996 9.202 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 128 9.453 10.660 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 128 4.874 12.427 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.993 12.002 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 128 4.911 10.718 2.441 1.00 0.00 H new ATOM 1558 N PRO A 129 9.439 10.494 -1.636 1.00 0.00 N ATOM 1559 CA PRO A 129 9.969 9.490 -2.537 1.00 0.00 C ATOM 1560 C PRO A 129 10.197 8.163 -1.806 1.00 0.00 C ATOM 1561 O PRO A 129 10.330 8.142 -0.580 1.00 0.00 O ATOM 1562 CB PRO A 129 11.293 10.053 -3.062 1.00 0.00 C ATOM 1563 CG PRO A 129 11.596 11.304 -2.241 1.00 0.00 C ATOM 1564 CD PRO A 129 10.436 11.468 -1.273 1.00 0.00 C ATOM 0 HA PRO A 129 9.273 9.281 -3.349 1.00 0.00 H new ATOM 0 HB2 PRO A 129 12.093 9.320 -2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.217 10.295 -4.122 1.00 0.00 H new ATOM 0 HG2 PRO A 129 12.539 11.198 -1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.692 12.178 -2.885 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.767 11.315 -0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.027 12.477 -1.329 1.00 0.00 H new ATOM 1572 N PRO A 130 10.368 7.050 -2.538 1.00 0.00 N ATOM 1573 CA PRO A 130 10.753 5.785 -1.930 1.00 0.00 C ATOM 1574 C PRO A 130 12.153 5.858 -1.293 1.00 0.00 C ATOM 1575 O PRO A 130 12.482 5.030 -0.449 1.00 0.00 O ATOM 1576 CB PRO A 130 10.650 4.742 -3.045 1.00 0.00 C ATOM 1577 CG PRO A 130 10.836 5.552 -4.327 1.00 0.00 C ATOM 1578 CD PRO A 130 10.300 6.941 -3.987 1.00 0.00 C ATOM 0 HA PRO A 130 10.099 5.519 -1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.416 3.973 -2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.685 4.235 -3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 130 11.885 5.593 -4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 130 10.289 5.109 -5.159 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.896 7.718 -4.466 1.00 0.00 H new ATOM 0 HD3 PRO A 130 9.276 7.062 -4.340 1.00 0.00 H new ATOM 1586 N GLU A 131 12.953 6.873 -1.630 1.00 0.00 N ATOM 1587 CA GLU A 131 14.249 7.106 -1.015 1.00 0.00 C ATOM 1588 C GLU A 131 14.141 7.690 0.406 1.00 0.00 C ATOM 1589 O GLU A 131 15.164 7.834 1.070 1.00 0.00 O ATOM 1590 CB GLU A 131 15.093 7.989 -1.954 1.00 0.00 C ATOM 1591 CG GLU A 131 16.581 7.902 -1.590 1.00 0.00 C ATOM 1592 CD GLU A 131 17.510 8.506 -2.642 1.00 0.00 C ATOM 1593 OE1 GLU A 131 17.606 8.014 -3.791 1.00 0.00 O ATOM 1594 OE2 GLU A 131 18.216 9.490 -2.324 1.00 0.00 O ATOM 0 H GLU A 131 12.711 7.559 -2.345 1.00 0.00 H new ATOM 0 HA GLU A 131 14.750 6.147 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 131 14.947 7.673 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU A 131 14.757 9.024 -1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 131 16.743 8.411 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 131 16.848 6.856 -1.441 1.00 0.00 H new ATOM 1602 N LEU A 132 12.944 8.044 0.899 1.00 0.00 N ATOM 1603 CA LEU A 132 12.773 8.628 2.240 1.00 0.00 C ATOM 1604 C LEU A 132 11.803 7.860 3.137 1.00 0.00 C ATOM 1605 O LEU A 132 11.433 8.304 4.222 1.00 0.00 O ATOM 1606 CB LEU A 132 12.313 10.081 2.120 1.00 0.00 C ATOM 1607 CG LEU A 132 13.434 11.051 1.735 1.00 0.00 C ATOM 1608 CD1 LEU A 132 12.857 12.466 1.641 1.00 0.00 C ATOM 1609 CD2 LEU A 132 14.575 11.088 2.762 1.00 0.00 C ATOM 0 H LEU A 132 12.071 7.935 0.383 1.00 0.00 H new ATOM 0 HA LEU A 132 13.750 8.567 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 132 11.520 10.142 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 132 11.882 10.396 3.070 1.00 0.00 H new ATOM 0 HG LEU A 132 13.839 10.702 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 132 13.648 13.164 1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 132 12.074 12.490 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.438 12.753 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 132 15.338 11.793 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 132 14.184 11.402 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 132 15.014 10.095 2.854 1.00 0.00 H new ATOM 1621 N TRP A 133 11.366 6.705 2.672 1.00 0.00 N ATOM 1622 CA TRP A 133 10.544 5.762 3.421 1.00 0.00 C ATOM 1623 C TRP A 133 11.275 4.419 3.609 1.00 0.00 C ATOM 1624 O TRP A 133 10.681 3.477 4.132 1.00 0.00 O ATOM 1625 CB TRP A 133 9.171 5.672 2.749 1.00 0.00 C ATOM 1626 CG TRP A 133 8.909 4.419 2.000 1.00 0.00 C ATOM 1627 CD1 TRP A 133 9.654 3.918 0.995 1.00 0.00 C ATOM 1628 CD2 TRP A 133 7.848 3.464 2.239 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.115 2.725 0.574 1.00 0.00 N ATOM 1630 CE2 TRP A 133 8.019 2.384 1.330 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.701 3.463 3.053 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 7.126 1.318 1.280 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.767 2.415 2.970 1.00 0.00 C ATOM 1634 CH2 TRP A 133 5.982 1.350 2.087 1.00 0.00 C ATOM 0 H TRP A 133 11.579 6.382 1.728 1.00 0.00 H new ATOM 0 HA TRP A 133 10.370 6.110 4.439 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.403 5.785 3.514 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.065 6.513 2.064 1.00 0.00 H new ATOM 0 HD1 TRP A 133 10.538 4.382 0.584 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.480 2.167 -0.198 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.536 4.274 3.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.313 0.478 0.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 4.882 2.432 3.589 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.261 0.548 2.028 1.00 0.00 H new ATOM 1645 N ASP A 134 12.533 4.347 3.145 1.00 0.00 N ATOM 1646 CA ASP A 134 13.346 3.173 2.827 1.00 0.00 C ATOM 1647 C ASP A 134 13.090 1.990 3.773 1.00 0.00 C ATOM 1648 O ASP A 134 13.621 1.962 4.887 1.00 0.00 O ATOM 1649 CB ASP A 134 14.837 3.532 2.664 1.00 0.00 C ATOM 1650 CG ASP A 134 15.491 4.250 3.847 1.00 0.00 C ATOM 1651 OD1 ASP A 134 15.143 5.433 4.068 1.00 0.00 O ATOM 1652 OD2 ASP A 134 16.437 3.699 4.459 1.00 0.00 O ATOM 0 H ASP A 134 13.056 5.204 2.966 1.00 0.00 H new ATOM 0 HA ASP A 134 13.018 2.817 1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.392 2.614 2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 134 14.944 4.161 1.780 1.00 0.00 H new ATOM 1658 N PRO A 135 12.221 1.036 3.381 1.00 0.00 N ATOM 1659 CA PRO A 135 11.565 0.167 4.341 1.00 0.00 C ATOM 1660 C PRO A 135 12.415 -1.084 4.613 1.00 0.00 C ATOM 1661 O PRO A 135 12.729 -1.354 5.775 1.00 0.00 O ATOM 1662 CB PRO A 135 10.188 -0.108 3.738 1.00 0.00 C ATOM 1663 CG PRO A 135 10.468 -0.122 2.235 1.00 0.00 C ATOM 1664 CD PRO A 135 11.513 0.982 2.111 1.00 0.00 C ATOM 0 HA PRO A 135 11.448 0.612 5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 135 9.779 -1.058 4.081 1.00 0.00 H new ATOM 0 HB3 PRO A 135 9.468 0.665 4.007 1.00 0.00 H new ATOM 0 HG2 PRO A 135 10.848 -1.086 1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 135 9.574 0.091 1.649 1.00 0.00 H new ATOM 0 HD2 PRO A 135 12.202 0.772 1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 135 11.040 1.939 1.891 1.00 0.00 H new ATOM 1672 N GLY A 136 12.849 -1.832 3.582 1.00 0.00 N ATOM 1673 CA GLY A 136 14.004 -2.714 3.699 1.00 0.00 C ATOM 1674 C GLY A 136 14.698 -2.840 2.353 1.00 0.00 C ATOM 1675 O GLY A 136 14.627 -3.902 1.733 1.00 0.00 O ATOM 0 H GLY A 136 12.410 -1.837 2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.699 -2.321 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.688 -3.697 4.048 1.00 0.00 H new ATOM 1679 N ILE A 137 15.303 -1.756 1.858 1.00 0.00 N ATOM 1680 CA ILE A 137 15.918 -1.722 0.531 1.00 0.00 C ATOM 1681 C ILE A 137 17.255 -2.465 0.590 1.00 0.00 C ATOM 1682 O ILE A 137 18.290 -1.853 0.849 1.00 0.00 O ATOM 1683 CB ILE A 137 16.075 -0.272 0.001 1.00 0.00 C ATOM 1684 CG1 ILE A 137 14.738 0.501 0.059 1.00 0.00 C ATOM 1685 CG2 ILE A 137 16.610 -0.316 -1.443 1.00 0.00 C ATOM 1686 CD1 ILE A 137 14.833 1.937 -0.469 1.00 0.00 C ATOM 0 H ILE A 137 15.379 -0.876 2.369 1.00 0.00 H new ATOM 0 HA ILE A 137 15.264 -2.224 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 137 16.783 0.257 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 137 13.990 -0.041 -0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.387 0.525 1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 137 16.722 0.700 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 137 17.578 -0.817 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 137 15.909 -0.862 -2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 137 13.857 2.417 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.557 2.496 0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.153 1.921 -1.511 1.00 0.00 H new ATOM 1698 N ASN A 138 17.227 -3.770 0.303 1.00 0.00 N ATOM 1699 CA ASN A 138 18.348 -4.712 0.408 1.00 0.00 C ATOM 1700 C ASN A 138 19.233 -4.394 1.621 1.00 0.00 C ATOM 1701 O ASN A 138 20.384 -3.973 1.476 1.00 0.00 O ATOM 1702 CB ASN A 138 19.116 -4.795 -0.923 1.00 0.00 C ATOM 1703 CG ASN A 138 20.053 -5.998 -0.980 1.00 0.00 C ATOM 1704 OD1 ASN A 138 20.321 -6.674 0.004 1.00 0.00 O ATOM 1705 ND2 ASN A 138 20.568 -6.315 -2.156 1.00 0.00 N ATOM 0 H ASN A 138 16.375 -4.223 -0.027 1.00 0.00 H new ATOM 0 HA ASN A 138 17.955 -5.712 0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 138 18.405 -4.853 -1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 138 19.693 -3.881 -1.064 1.00 0.00 H new ATOM 0 HD21 ASN A 138 21.187 -7.121 -2.241 1.00 0.00 H new ATOM 0 HD22 ASN A 138 20.346 -5.753 -2.978 1.00 0.00 H new ATOM 1712 N ALA A 139 18.638 -4.483 2.814 1.00 0.00 N ATOM 1713 CA ALA A 139 19.175 -3.959 4.055 1.00 0.00 C ATOM 1714 C ALA A 139 18.832 -4.933 5.159 1.00 0.00 C ATOM 1715 O ALA A 139 17.734 -5.528 5.136 1.00 0.00 O ATOM 1716 CB ALA A 139 18.605 -2.560 4.341 1.00 0.00 C ATOM 0 H ALA A 139 17.735 -4.941 2.937 1.00 0.00 H new ATOM 0 HA ALA A 139 20.258 -3.852 3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 139 19.019 -2.183 5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 139 18.872 -1.885 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 139 17.520 -2.619 4.422 1.00 0.00 H new TER 1722 ALA A 139