USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 970 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 13 HIS : no HE2:sc= -4! K(o=-5!,f=-2.8) USER MOD Set 1.2: A 117 GLN : amide:sc= -1.01 K(o=-5,f=-2.8) USER MOD Set 2.1: A 44 THR OG1 : rot 164:sc= 1.14 USER MOD Set 2.2: A 80 THR OG1 : rot -67:sc= 0.193 USER MOD Set 3.1: A 25 TYR OH : rot 32:sc= 0.387 USER MOD Set 3.2: A 47 HIS : no HE2:sc= -1.31 K(o=-0.19,f=-7.5!) USER MOD Set 3.3: A 79 THR OG1 : rot 87:sc= 0.737 USER MOD Set 4.1: A 30 MET CE :methyl 174:sc= -0.788 (180deg=-1.11) USER MOD Set 4.2: A 43 ASN : amide:sc= 0.382 K(o=-0.28,f=-2.1) USER MOD Set 4.3: A 94 TYR OH : rot 13:sc= 0.127 USER MOD Set 5.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 8 HIS : no HD1:sc= -0.707 X(o=-0.71,f=-0.29) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -121:sc= 0.00146 (180deg=-0.00548) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 15:sc= 0 USER MOD Single : A 11 THR OG1 : rot 59:sc= 0.788 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot -14:sc= 0.354 USER MOD Single : A 17 LYS NZ :NH3+ 170:sc=-0.00691 (180deg=-0.126) USER MOD Single : A 19 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 28 SER OG : rot -21:sc= 0.236 USER MOD Single : A 36 THR OG1 : rot -39:sc= 0.505 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= -0.0282 (180deg=-0.191) USER MOD Single : A 49 ASN : amide:sc= 0.0585 K(o=0.059,f=-5.1!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -2:sc= 0.846 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.157 K(o=-0.16,f=-1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.265 K(o=-0.26,f=-2.7!) USER MOD Single : A 63 ASN : amide:sc= -0.547 K(o=-0.55,f=0.036) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0051 X(o=-0.0051,f=0.055) USER MOD Single : A 72 SER OG : rot 170:sc=-0.000487 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 93:sc= 0.419 USER MOD Single : A 77 GLN : amide:sc= -0.0759 X(o=-0.076,f=-0.17) USER MOD Single : A 82 LYS NZ :NH3+ 172:sc=-0.000651 (180deg=-0.0648) USER MOD Single : A 84 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.58) USER MOD Single : A 87 SER OG : rot 37:sc= 0.2 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 109 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.055) USER MOD Single : A 114 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.5) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 4.600 -6.359 -2.903 1.00 0.00 N ATOM 2 CA GLN A 1 4.784 -6.344 -1.435 1.00 0.00 C ATOM 3 C GLN A 1 3.709 -5.554 -0.781 1.00 0.00 C ATOM 4 O GLN A 1 3.306 -4.506 -1.283 1.00 0.00 O ATOM 5 CB GLN A 1 6.110 -5.659 -1.059 1.00 0.00 C ATOM 6 CG GLN A 1 7.347 -6.437 -1.519 1.00 0.00 C ATOM 7 CD GLN A 1 8.587 -5.660 -1.079 1.00 0.00 C ATOM 8 OE1 GLN A 1 9.326 -5.121 -1.910 1.00 0.00 O ATOM 9 NE2 GLN A 1 8.807 -5.612 0.271 1.00 0.00 N ATOM 0 H1 GLN A 1 4.501 -7.341 -3.230 1.00 0.00 H new ATOM 0 H2 GLN A 1 3.744 -5.823 -3.151 1.00 0.00 H new ATOM 0 H3 GLN A 1 5.426 -5.923 -3.361 1.00 0.00 H new ATOM 0 HA GLN A 1 4.769 -7.383 -1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 1 6.133 -4.662 -1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 1 6.151 -5.532 0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 1 7.351 -7.437 -1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 1 7.339 -6.559 -2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 1 8.162 -6.077 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 1 9.616 -5.112 0.638 1.00 0.00 H new ATOM 20 N ASP A 2 3.244 -6.052 0.385 1.00 0.00 N ATOM 21 CA ASP A 2 2.336 -5.327 1.224 1.00 0.00 C ATOM 22 C ASP A 2 3.008 -5.232 2.542 1.00 0.00 C ATOM 23 O ASP A 2 2.433 -5.505 3.594 1.00 0.00 O ATOM 24 CB ASP A 2 0.995 -6.034 1.446 1.00 0.00 C ATOM 25 CG ASP A 2 0.354 -6.328 0.099 1.00 0.00 C ATOM 26 OD1 ASP A 2 -0.016 -5.351 -0.607 1.00 0.00 O ATOM 27 OD2 ASP A 2 0.226 -7.534 -0.243 1.00 0.00 O ATOM 0 H ASP A 2 3.502 -6.969 0.748 1.00 0.00 H new ATOM 0 HA ASP A 2 2.112 -4.372 0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.146 -6.961 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.335 -5.408 2.047 1.00 0.00 H new ATOM 32 N ASN A 3 4.278 -4.806 2.467 1.00 0.00 N ATOM 33 CA ASN A 3 5.124 -4.596 3.599 1.00 0.00 C ATOM 34 C ASN A 3 5.239 -3.118 3.711 1.00 0.00 C ATOM 35 O ASN A 3 5.836 -2.600 4.650 1.00 0.00 O ATOM 36 CB ASN A 3 6.544 -5.166 3.434 1.00 0.00 C ATOM 37 CG ASN A 3 6.478 -6.684 3.302 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.109 -7.238 2.259 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.890 -7.368 4.409 1.00 0.00 N ATOM 0 H ASN A 3 4.736 -4.599 1.580 1.00 0.00 H new ATOM 0 HA ASN A 3 4.695 -5.098 4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.019 -4.735 2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.158 -4.893 4.292 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.904 -8.388 4.402 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.184 -6.859 5.243 1.00 0.00 H new ATOM 46 N SER A 4 4.658 -2.412 2.721 1.00 0.00 N ATOM 47 CA SER A 4 4.553 -0.983 2.753 1.00 0.00 C ATOM 48 C SER A 4 3.261 -0.670 3.420 1.00 0.00 C ATOM 49 O SER A 4 3.140 0.334 4.116 1.00 0.00 O ATOM 50 CB SER A 4 4.529 -0.339 1.359 1.00 0.00 C ATOM 51 OG SER A 4 5.736 -0.631 0.672 1.00 0.00 O ATOM 0 H SER A 4 4.255 -2.839 1.887 1.00 0.00 H new ATOM 0 HA SER A 4 5.426 -0.587 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.677 -0.713 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.403 0.740 1.449 1.00 0.00 H new ATOM 0 HG SER A 4 5.714 -0.219 -0.217 1.00 0.00 H new ATOM 57 N ARG A 5 2.263 -1.553 3.203 1.00 0.00 N ATOM 58 CA ARG A 5 0.942 -1.422 3.739 1.00 0.00 C ATOM 59 C ARG A 5 0.940 -1.622 5.217 1.00 0.00 C ATOM 60 O ARG A 5 0.162 -0.967 5.913 1.00 0.00 O ATOM 61 CB ARG A 5 -0.008 -2.496 3.189 1.00 0.00 C ATOM 62 CG ARG A 5 -0.487 -2.247 1.752 1.00 0.00 C ATOM 63 CD ARG A 5 -1.538 -1.137 1.642 1.00 0.00 C ATOM 64 NE ARG A 5 -2.739 -1.574 2.414 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.768 -0.715 2.673 1.00 0.00 C ATOM 66 NH1 ARG A 5 -3.735 0.565 2.203 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.837 -1.143 3.409 1.00 0.00 N ATOM 0 H ARG A 5 2.383 -2.389 2.632 1.00 0.00 H new ATOM 0 HA ARG A 5 0.614 -0.421 3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.495 -3.462 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.878 -2.562 3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.371 -1.987 1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.903 -3.171 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.148 -0.200 2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.798 -0.958 0.599 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.792 -2.534 2.755 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.938 0.886 1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.508 1.201 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.863 -2.100 3.762 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.609 -0.506 3.606 1.00 0.00 H new ATOM 81 N TYR A 6 1.801 -2.535 5.727 1.00 0.00 N ATOM 82 CA TYR A 6 1.878 -2.866 7.083 1.00 0.00 C ATOM 83 C TYR A 6 2.544 -1.759 7.787 1.00 0.00 C ATOM 84 O TYR A 6 2.067 -1.384 8.846 1.00 0.00 O ATOM 85 CB TYR A 6 2.767 -4.083 7.166 1.00 0.00 C ATOM 86 CG TYR A 6 3.173 -4.328 8.555 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.300 -4.908 9.432 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.466 -4.089 8.942 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.724 -5.328 10.661 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.918 -4.545 10.155 1.00 0.00 C ATOM 91 CZ TYR A 6 4.041 -5.169 11.028 1.00 0.00 C ATOM 92 OH TYR A 6 4.462 -5.633 12.289 1.00 0.00 O ATOM 0 H TYR A 6 2.463 -3.052 5.148 1.00 0.00 H new ATOM 0 HA TYR A 6 0.895 -3.048 7.518 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.240 -4.953 6.776 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.650 -3.939 6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.265 -5.036 9.151 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.131 -3.541 8.291 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.025 -5.785 11.345 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.955 -4.418 10.429 1.00 0.00 H new ATOM 0 HH TYR A 6 3.783 -6.235 12.660 1.00 0.00 H new ATOM 102 N THR A 7 3.671 -1.240 7.245 1.00 0.00 N ATOM 103 CA THR A 7 4.403 -0.199 7.885 1.00 0.00 C ATOM 104 C THR A 7 3.762 1.164 7.825 1.00 0.00 C ATOM 105 O THR A 7 4.132 2.025 8.617 1.00 0.00 O ATOM 106 CB THR A 7 5.820 -0.053 7.438 1.00 0.00 C ATOM 107 OG1 THR A 7 5.885 0.425 6.103 1.00 0.00 O ATOM 108 CG2 THR A 7 6.601 -1.367 7.589 1.00 0.00 C ATOM 0 H THR A 7 4.069 -1.550 6.359 1.00 0.00 H new ATOM 0 HA THR A 7 4.390 -0.553 8.916 1.00 0.00 H new ATOM 0 HB THR A 7 6.292 0.684 8.087 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.823 0.514 5.833 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.628 -1.221 7.254 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.601 -1.672 8.635 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.129 -2.142 6.985 1.00 0.00 H new ATOM 116 N HIS A 8 2.794 1.405 6.913 1.00 0.00 N ATOM 117 CA HIS A 8 2.097 2.670 6.868 1.00 0.00 C ATOM 118 C HIS A 8 0.965 2.651 7.852 1.00 0.00 C ATOM 119 O HIS A 8 0.681 3.659 8.507 1.00 0.00 O ATOM 120 CB HIS A 8 1.547 3.021 5.478 1.00 0.00 C ATOM 121 CG HIS A 8 2.649 3.210 4.476 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.401 3.536 3.171 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.993 3.082 4.606 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.559 3.604 2.530 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.542 3.332 3.378 1.00 0.00 N ATOM 0 H HIS A 8 2.492 0.731 6.209 1.00 0.00 H new ATOM 0 HA HIS A 8 2.830 3.436 7.121 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.880 2.228 5.140 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.953 3.932 5.541 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.529 2.830 5.509 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.683 3.843 1.484 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.537 3.313 3.153 1.00 0.00 H new ATOM 134 N PHE A 9 0.339 1.455 7.981 1.00 0.00 N ATOM 135 CA PHE A 9 -0.582 1.100 9.033 1.00 0.00 C ATOM 136 C PHE A 9 0.110 1.290 10.360 1.00 0.00 C ATOM 137 O PHE A 9 -0.453 1.883 11.273 1.00 0.00 O ATOM 138 CB PHE A 9 -1.074 -0.363 8.850 1.00 0.00 C ATOM 139 CG PHE A 9 -1.607 -1.014 10.084 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.648 -0.429 10.780 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.132 -2.257 10.491 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.123 -1.002 11.934 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.711 -2.889 11.575 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.662 -2.238 12.329 1.00 0.00 C ATOM 0 H PHE A 9 0.484 0.696 7.315 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.462 1.742 8.996 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.852 -0.375 8.087 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.247 -0.963 8.471 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.091 0.485 10.414 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.315 -2.725 9.962 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.858 -0.483 12.532 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.417 -3.896 11.832 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.046 -2.696 13.229 1.00 0.00 H new ATOM 154 N LEU A 10 1.359 0.807 10.469 1.00 0.00 N ATOM 155 CA LEU A 10 2.220 0.900 11.611 1.00 0.00 C ATOM 156 C LEU A 10 2.658 2.289 11.966 1.00 0.00 C ATOM 157 O LEU A 10 2.930 2.545 13.136 1.00 0.00 O ATOM 158 CB LEU A 10 3.526 0.167 11.335 1.00 0.00 C ATOM 159 CG LEU A 10 3.997 -0.694 12.486 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.673 -2.163 12.303 1.00 0.00 C ATOM 161 CD2 LEU A 10 5.485 -0.573 12.719 1.00 0.00 C ATOM 0 H LEU A 10 1.804 0.311 9.696 1.00 0.00 H new ATOM 0 HA LEU A 10 1.620 0.484 12.421 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.401 -0.460 10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.300 0.898 11.100 1.00 0.00 H new ATOM 0 HG LEU A 10 3.451 -0.314 13.350 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.037 -2.726 13.163 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.594 -2.290 12.217 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.155 -2.532 11.397 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.775 -1.209 13.555 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.020 -0.885 11.822 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.734 0.463 12.948 1.00 0.00 H new ATOM 173 N THR A 11 2.777 3.201 10.973 1.00 0.00 N ATOM 174 CA THR A 11 3.121 4.572 11.237 1.00 0.00 C ATOM 175 C THR A 11 1.994 5.192 11.982 1.00 0.00 C ATOM 176 O THR A 11 2.193 5.772 13.049 1.00 0.00 O ATOM 177 CB THR A 11 3.425 5.393 10.001 1.00 0.00 C ATOM 178 OG1 THR A 11 4.506 4.800 9.301 1.00 0.00 O ATOM 179 CG2 THR A 11 3.826 6.836 10.369 1.00 0.00 C ATOM 0 H THR A 11 2.634 2.987 9.986 1.00 0.00 H new ATOM 0 HA THR A 11 4.045 4.565 11.815 1.00 0.00 H new ATOM 0 HB THR A 11 2.525 5.420 9.387 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.272 3.881 9.055 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.037 7.398 9.459 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.009 7.314 10.909 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.715 6.817 10.999 1.00 0.00 H new ATOM 187 N GLN A 12 0.778 5.063 11.426 1.00 0.00 N ATOM 188 CA GLN A 12 -0.353 5.754 11.974 1.00 0.00 C ATOM 189 C GLN A 12 -1.037 5.036 13.104 1.00 0.00 C ATOM 190 O GLN A 12 -1.952 5.600 13.703 1.00 0.00 O ATOM 191 CB GLN A 12 -1.345 6.151 10.865 1.00 0.00 C ATOM 192 CG GLN A 12 -2.116 4.992 10.233 1.00 0.00 C ATOM 193 CD GLN A 12 -2.762 5.494 8.944 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.396 5.067 7.843 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.753 6.424 9.103 1.00 0.00 N ATOM 0 H GLN A 12 0.575 4.489 10.608 1.00 0.00 H new ATOM 0 HA GLN A 12 0.048 6.661 12.427 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.062 6.860 11.278 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.797 6.672 10.080 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.445 4.159 10.022 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.877 4.622 10.920 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.012 6.739 10.038 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.233 6.803 8.286 1.00 0.00 H new ATOM 204 N HIS A 13 -0.612 3.792 13.430 1.00 0.00 N ATOM 205 CA HIS A 13 -1.190 3.062 14.523 1.00 0.00 C ATOM 206 C HIS A 13 -0.154 2.646 15.523 1.00 0.00 C ATOM 207 O HIS A 13 -0.320 2.952 16.694 1.00 0.00 O ATOM 208 CB HIS A 13 -2.005 1.836 14.088 1.00 0.00 C ATOM 209 CG HIS A 13 -3.231 2.230 13.323 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.436 2.431 13.936 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.393 2.539 12.019 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.305 2.846 13.027 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.699 2.912 11.851 1.00 0.00 N ATOM 0 H HIS A 13 0.130 3.296 12.936 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.884 3.762 14.988 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.384 1.186 13.471 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.294 1.260 14.967 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.633 2.286 14.926 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.634 2.499 11.252 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.340 3.091 13.214 1.00 0.00 H new ATOM 222 N TYR A 14 0.918 1.922 15.140 1.00 0.00 N ATOM 223 CA TYR A 14 1.795 1.336 16.130 1.00 0.00 C ATOM 224 C TYR A 14 2.619 2.375 16.834 1.00 0.00 C ATOM 225 O TYR A 14 3.348 3.143 16.205 1.00 0.00 O ATOM 226 CB TYR A 14 2.774 0.330 15.557 1.00 0.00 C ATOM 227 CG TYR A 14 3.498 -0.501 16.555 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.910 -1.199 17.596 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.832 -0.702 16.300 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.685 -1.965 18.444 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.588 -1.540 17.077 1.00 0.00 C ATOM 232 CZ TYR A 14 5.037 -2.105 18.207 1.00 0.00 C ATOM 233 OH TYR A 14 5.840 -2.841 19.099 1.00 0.00 O ATOM 0 H TYR A 14 1.179 1.741 14.171 1.00 0.00 H new ATOM 0 HA TYR A 14 1.114 0.834 16.817 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.233 -0.333 14.882 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.508 0.866 14.956 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.842 -1.144 17.745 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.295 -0.189 15.470 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.233 -2.455 19.293 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.611 -1.757 16.805 1.00 0.00 H new ATOM 0 HH TYR A 14 5.351 -2.987 19.935 1.00 0.00 H new ATOM 243 N ASP A 15 2.515 2.399 18.176 1.00 0.00 N ATOM 244 CA ASP A 15 3.362 3.218 18.988 1.00 0.00 C ATOM 245 C ASP A 15 3.627 2.325 20.145 1.00 0.00 C ATOM 246 O ASP A 15 2.797 2.234 21.040 1.00 0.00 O ATOM 247 CB ASP A 15 2.721 4.531 19.491 1.00 0.00 C ATOM 248 CG ASP A 15 3.719 5.215 20.418 1.00 0.00 C ATOM 249 OD1 ASP A 15 4.833 5.562 19.943 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.378 5.404 21.616 1.00 0.00 O ATOM 0 H ASP A 15 1.838 1.846 18.702 1.00 0.00 H new ATOM 0 HA ASP A 15 4.231 3.558 18.425 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.473 5.181 18.651 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.790 4.323 20.019 1.00 0.00 H new ATOM 255 N ALA A 16 4.787 1.632 20.106 1.00 0.00 N ATOM 256 CA ALA A 16 5.166 0.518 20.951 1.00 0.00 C ATOM 257 C ALA A 16 4.904 0.646 22.419 1.00 0.00 C ATOM 258 O ALA A 16 4.445 -0.311 23.041 1.00 0.00 O ATOM 259 CB ALA A 16 6.633 0.107 20.788 1.00 0.00 C ATOM 0 H ALA A 16 5.518 1.865 19.434 1.00 0.00 H new ATOM 0 HA ALA A 16 4.487 -0.246 20.572 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.851 -0.732 21.449 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.816 -0.188 19.755 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.277 0.948 21.045 1.00 0.00 H new ATOM 265 N LYS A 17 5.164 1.827 23.003 1.00 0.00 N ATOM 266 CA LYS A 17 4.615 2.114 24.296 1.00 0.00 C ATOM 267 C LYS A 17 4.612 3.618 24.435 1.00 0.00 C ATOM 268 O LYS A 17 5.587 4.245 24.020 1.00 0.00 O ATOM 269 CB LYS A 17 5.427 1.524 25.478 1.00 0.00 C ATOM 270 CG LYS A 17 4.620 1.363 26.780 1.00 0.00 C ATOM 271 CD LYS A 17 3.549 0.261 26.700 1.00 0.00 C ATOM 272 CE LYS A 17 2.674 0.161 27.953 1.00 0.00 C ATOM 273 NZ LYS A 17 1.846 1.377 28.102 1.00 0.00 N ATOM 0 H LYS A 17 5.737 2.567 22.597 1.00 0.00 H new ATOM 0 HA LYS A 17 3.625 1.660 24.348 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.820 0.551 25.184 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.285 2.168 25.672 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.304 1.136 27.598 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.139 2.311 27.021 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.911 0.449 25.836 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.039 -0.698 26.532 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.032 -0.718 27.887 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.303 0.031 28.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.141 1.227 28.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.454 2.182 28.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.360 1.578 27.205 1.00 0.00 H new ATOM 287 N PRO A 18 3.579 4.226 25.010 1.00 0.00 N ATOM 288 CA PRO A 18 3.472 5.657 25.098 1.00 0.00 C ATOM 289 C PRO A 18 4.375 6.277 26.116 1.00 0.00 C ATOM 290 O PRO A 18 5.108 5.586 26.824 1.00 0.00 O ATOM 291 CB PRO A 18 2.064 5.879 25.628 1.00 0.00 C ATOM 292 CG PRO A 18 1.243 4.750 25.042 1.00 0.00 C ATOM 293 CD PRO A 18 2.265 3.635 24.875 1.00 0.00 C ATOM 0 HA PRO A 18 3.720 6.092 24.130 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.044 5.857 26.718 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.675 6.850 25.322 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.430 4.456 25.705 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.792 5.031 24.090 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.114 2.860 25.627 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.157 3.159 23.901 1.00 0.00 H new ATOM 301 N GLN A 19 4.250 7.616 26.208 1.00 0.00 N ATOM 302 CA GLN A 19 4.810 8.424 27.243 1.00 0.00 C ATOM 303 C GLN A 19 4.015 8.145 28.477 1.00 0.00 C ATOM 304 O GLN A 19 4.513 7.579 29.448 1.00 0.00 O ATOM 305 CB GLN A 19 4.711 9.921 26.884 1.00 0.00 C ATOM 306 CG GLN A 19 5.487 10.307 25.615 1.00 0.00 C ATOM 307 CD GLN A 19 6.967 9.980 25.804 1.00 0.00 C ATOM 308 OE1 GLN A 19 7.635 10.519 26.694 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.479 9.063 24.926 1.00 0.00 N ATOM 0 H GLN A 19 3.729 8.161 25.521 1.00 0.00 H new ATOM 0 HA GLN A 19 5.866 8.192 27.384 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.662 10.185 26.751 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.085 10.511 27.721 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.091 9.767 24.755 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.362 11.370 25.409 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.879 8.651 24.211 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.460 8.792 24.987 1.00 0.00 H new ATOM 318 N GLY A 20 2.730 8.521 28.422 1.00 0.00 N ATOM 319 CA GLY A 20 1.740 8.059 29.347 1.00 0.00 C ATOM 320 C GLY A 20 0.554 7.895 28.484 1.00 0.00 C ATOM 321 O GLY A 20 0.640 8.098 27.279 1.00 0.00 O ATOM 0 H GLY A 20 2.366 9.163 27.718 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.032 7.121 29.820 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.564 8.778 30.147 1.00 0.00 H new ATOM 325 N ARG A 21 -0.586 7.534 29.087 1.00 0.00 N ATOM 326 CA ARG A 21 -1.806 7.387 28.340 1.00 0.00 C ATOM 327 C ARG A 21 -2.672 8.528 28.754 1.00 0.00 C ATOM 328 O ARG A 21 -3.610 8.364 29.534 1.00 0.00 O ATOM 329 CB ARG A 21 -2.541 6.045 28.545 1.00 0.00 C ATOM 330 CG ARG A 21 -1.861 4.862 27.828 1.00 0.00 C ATOM 331 CD ARG A 21 -0.740 4.164 28.600 1.00 0.00 C ATOM 332 NE ARG A 21 -1.379 3.296 29.629 1.00 0.00 N ATOM 333 CZ ARG A 21 -0.657 2.787 30.672 1.00 0.00 C ATOM 334 NH1 ARG A 21 0.659 3.111 30.828 1.00 0.00 N ATOM 335 NH2 ARG A 21 -1.259 1.942 31.559 1.00 0.00 N ATOM 0 H ARG A 21 -0.672 7.343 30.085 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.567 7.389 27.276 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.599 5.830 29.612 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.565 6.140 28.183 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.624 4.122 27.587 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.455 5.221 26.882 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.123 3.569 27.926 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.084 4.897 29.070 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.373 3.078 29.554 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.112 3.738 30.163 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.190 2.726 31.609 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.241 1.694 31.441 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.726 1.558 32.340 1.00 0.00 H new ATOM 349 N ASP A 22 -2.340 9.730 28.236 1.00 0.00 N ATOM 350 CA ASP A 22 -2.986 10.942 28.642 1.00 0.00 C ATOM 351 C ASP A 22 -3.070 11.841 27.455 1.00 0.00 C ATOM 352 O ASP A 22 -2.577 11.509 26.377 1.00 0.00 O ATOM 353 CB ASP A 22 -2.271 11.669 29.802 1.00 0.00 C ATOM 354 CG ASP A 22 -0.888 12.178 29.399 1.00 0.00 C ATOM 355 OD1 ASP A 22 0.002 11.348 29.077 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.699 13.424 29.436 1.00 0.00 O ATOM 0 H ASP A 22 -1.616 9.860 27.529 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.974 10.680 29.020 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.882 12.508 30.134 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.174 10.990 30.649 1.00 0.00 H new ATOM 361 N ASP A 23 -3.724 13.007 27.646 1.00 0.00 N ATOM 362 CA ASP A 23 -4.098 13.910 26.590 1.00 0.00 C ATOM 363 C ASP A 23 -2.932 14.609 25.965 1.00 0.00 C ATOM 364 O ASP A 23 -3.036 15.054 24.826 1.00 0.00 O ATOM 365 CB ASP A 23 -5.116 14.988 27.031 1.00 0.00 C ATOM 366 CG ASP A 23 -4.512 15.954 28.050 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.211 15.518 29.193 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.361 17.155 27.696 1.00 0.00 O ATOM 0 H ASP A 23 -4.003 13.334 28.571 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.564 13.254 25.855 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.456 15.546 26.158 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.993 14.505 27.463 1.00 0.00 H new ATOM 373 N ARG A 24 -1.795 14.718 26.687 1.00 0.00 N ATOM 374 CA ARG A 24 -0.635 15.391 26.187 1.00 0.00 C ATOM 375 C ARG A 24 0.226 14.409 25.445 1.00 0.00 C ATOM 376 O ARG A 24 1.075 14.815 24.651 1.00 0.00 O ATOM 377 CB ARG A 24 0.165 16.077 27.317 1.00 0.00 C ATOM 378 CG ARG A 24 1.222 17.110 26.876 1.00 0.00 C ATOM 379 CD ARG A 24 0.714 18.208 25.925 1.00 0.00 C ATOM 380 NE ARG A 24 -0.538 18.814 26.476 1.00 0.00 N ATOM 381 CZ ARG A 24 -0.533 19.915 27.287 1.00 0.00 C ATOM 382 NH1 ARG A 24 0.637 20.504 27.664 1.00 0.00 N ATOM 383 NH2 ARG A 24 -1.721 20.425 27.727 1.00 0.00 N ATOM 0 H ARG A 24 -1.683 14.335 27.626 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.960 16.179 25.507 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.541 16.573 27.983 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.665 15.304 27.900 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.634 17.586 27.766 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.041 16.581 26.389 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.477 18.976 25.801 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.522 17.787 24.938 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.433 18.388 26.237 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.527 20.124 27.341 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.623 21.325 28.269 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.599 19.985 27.450 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.731 21.246 28.332 1.00 0.00 H new ATOM 397 N TYR A 25 0.001 13.090 25.665 1.00 0.00 N ATOM 398 CA TYR A 25 0.654 12.074 24.886 1.00 0.00 C ATOM 399 C TYR A 25 -0.031 12.038 23.563 1.00 0.00 C ATOM 400 O TYR A 25 0.643 11.902 22.546 1.00 0.00 O ATOM 401 CB TYR A 25 0.624 10.667 25.525 1.00 0.00 C ATOM 402 CG TYR A 25 0.664 9.565 24.502 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.810 9.251 23.782 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.485 8.819 24.284 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.777 8.263 22.817 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.516 7.831 23.325 1.00 0.00 C ATOM 407 CZ TYR A 25 0.613 7.560 22.585 1.00 0.00 C ATOM 408 OH TYR A 25 0.572 6.556 21.599 1.00 0.00 O ATOM 0 H TYR A 25 -0.631 12.731 26.380 1.00 0.00 H new ATOM 0 HA TYR A 25 1.710 12.332 24.809 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.473 10.561 26.201 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.278 10.565 26.128 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.730 9.781 23.977 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.368 9.016 24.875 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.664 8.041 22.243 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.423 7.270 23.154 1.00 0.00 H new ATOM 0 HH TYR A 25 1.450 6.125 21.535 1.00 0.00 H new ATOM 418 N CYS A 26 -1.379 12.151 23.549 1.00 0.00 N ATOM 419 CA CYS A 26 -2.137 12.103 22.330 1.00 0.00 C ATOM 420 C CYS A 26 -1.934 13.317 21.488 1.00 0.00 C ATOM 421 O CYS A 26 -1.963 13.219 20.265 1.00 0.00 O ATOM 422 CB CYS A 26 -3.644 11.980 22.538 1.00 0.00 C ATOM 423 SG CYS A 26 -4.173 10.266 22.745 1.00 0.00 S ATOM 0 H CYS A 26 -1.945 12.276 24.388 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.759 11.207 21.839 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.935 12.556 23.417 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.163 12.417 21.685 1.00 0.00 H new ATOM 428 N GLU A 27 -1.727 14.485 22.125 1.00 0.00 N ATOM 429 CA GLU A 27 -1.447 15.705 21.421 1.00 0.00 C ATOM 430 C GLU A 27 -0.105 15.623 20.775 1.00 0.00 C ATOM 431 O GLU A 27 0.026 16.024 19.622 1.00 0.00 O ATOM 432 CB GLU A 27 -1.450 16.961 22.307 1.00 0.00 C ATOM 433 CG GLU A 27 -2.864 17.474 22.593 1.00 0.00 C ATOM 434 CD GLU A 27 -2.786 18.544 23.670 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.099 19.575 23.438 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.413 18.344 24.745 1.00 0.00 O ATOM 0 H GLU A 27 -1.754 14.587 23.140 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.253 15.805 20.694 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.950 16.738 23.250 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.874 17.747 21.819 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.308 17.883 21.686 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.504 16.655 22.920 1.00 0.00 H new ATOM 443 N SER A 28 0.918 15.101 21.493 1.00 0.00 N ATOM 444 CA SER A 28 2.250 15.054 20.981 1.00 0.00 C ATOM 445 C SER A 28 2.468 13.978 19.960 1.00 0.00 C ATOM 446 O SER A 28 3.383 14.108 19.152 1.00 0.00 O ATOM 447 CB SER A 28 3.298 14.887 22.089 1.00 0.00 C ATOM 448 OG SER A 28 3.213 13.600 22.680 1.00 0.00 O ATOM 0 H SER A 28 0.814 14.712 22.430 1.00 0.00 H new ATOM 0 HA SER A 28 2.377 16.021 20.494 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.296 15.036 21.676 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.151 15.652 22.852 1.00 0.00 H new ATOM 0 HG SER A 28 2.324 13.222 22.515 1.00 0.00 H new ATOM 454 N ILE A 29 1.653 12.897 19.959 1.00 0.00 N ATOM 455 CA ILE A 29 1.816 11.857 18.980 1.00 0.00 C ATOM 456 C ILE A 29 1.070 12.203 17.738 1.00 0.00 C ATOM 457 O ILE A 29 1.476 11.803 16.655 1.00 0.00 O ATOM 458 CB ILE A 29 1.584 10.423 19.435 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.107 9.446 18.361 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.115 10.123 19.787 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.442 8.071 18.907 1.00 0.00 C ATOM 0 H ILE A 29 0.895 12.745 20.624 1.00 0.00 H new ATOM 0 HA ILE A 29 2.887 11.838 18.776 1.00 0.00 H new ATOM 0 HB ILE A 29 2.143 10.285 20.361 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.356 9.344 17.577 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.997 9.871 17.897 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.021 9.084 20.103 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.207 10.779 20.596 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.511 10.293 18.911 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.803 7.436 18.098 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.215 8.161 19.670 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.549 7.626 19.346 1.00 0.00 H new ATOM 473 N MET A 30 -0.021 12.987 17.832 1.00 0.00 N ATOM 474 CA MET A 30 -0.687 13.381 16.624 1.00 0.00 C ATOM 475 C MET A 30 0.060 14.507 15.983 1.00 0.00 C ATOM 476 O MET A 30 -0.041 14.680 14.772 1.00 0.00 O ATOM 477 CB MET A 30 -2.161 13.768 16.808 1.00 0.00 C ATOM 478 CG MET A 30 -3.010 12.589 17.303 1.00 0.00 C ATOM 479 SD MET A 30 -3.204 11.281 16.078 1.00 0.00 S ATOM 480 CE MET A 30 -4.663 11.953 15.249 1.00 0.00 C ATOM 0 H MET A 30 -0.428 13.335 18.700 1.00 0.00 H new ATOM 0 HA MET A 30 -0.691 12.501 15.981 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.233 14.590 17.520 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.561 14.130 15.861 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.551 12.172 18.199 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.995 12.956 17.591 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.897 11.345 14.375 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.509 11.942 15.936 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.464 12.978 14.936 1.00 0.00 H new ATOM 490 N ARG A 31 0.842 15.279 16.773 1.00 0.00 N ATOM 491 CA ARG A 31 1.635 16.358 16.258 1.00 0.00 C ATOM 492 C ARG A 31 2.849 15.855 15.523 1.00 0.00 C ATOM 493 O ARG A 31 3.126 16.313 14.416 1.00 0.00 O ATOM 494 CB ARG A 31 2.119 17.323 17.364 1.00 0.00 C ATOM 495 CG ARG A 31 2.397 18.753 16.884 1.00 0.00 C ATOM 496 CD ARG A 31 1.092 19.502 16.604 1.00 0.00 C ATOM 497 NE ARG A 31 1.404 20.870 16.111 1.00 0.00 N ATOM 498 CZ ARG A 31 0.387 21.661 15.660 1.00 0.00 C ATOM 499 NH1 ARG A 31 -0.890 21.179 15.656 1.00 0.00 N ATOM 500 NH2 ARG A 31 0.640 22.925 15.219 1.00 0.00 N ATOM 0 H ARG A 31 0.923 15.150 17.782 1.00 0.00 H new ATOM 0 HA ARG A 31 0.976 16.895 15.576 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.367 17.358 18.153 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.029 16.919 17.808 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.973 19.288 17.639 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.005 18.725 15.980 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.502 18.962 15.863 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.490 19.559 17.511 1.00 0.00 H new ATOM 0 HE ARG A 31 2.365 21.212 16.110 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.079 20.234 15.989 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.655 21.764 15.320 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.594 23.286 15.224 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.125 23.511 14.883 1.00 0.00 H new ATOM 514 N ARG A 32 3.617 14.927 16.144 1.00 0.00 N ATOM 515 CA ARG A 32 4.919 14.550 15.651 1.00 0.00 C ATOM 516 C ARG A 32 4.818 13.464 14.626 1.00 0.00 C ATOM 517 O ARG A 32 5.634 13.422 13.706 1.00 0.00 O ATOM 518 CB ARG A 32 5.897 14.049 16.734 1.00 0.00 C ATOM 519 CG ARG A 32 6.705 15.161 17.433 1.00 0.00 C ATOM 520 CD ARG A 32 5.869 16.142 18.258 1.00 0.00 C ATOM 521 NE ARG A 32 6.779 17.121 18.911 1.00 0.00 N ATOM 522 CZ ARG A 32 6.264 18.077 19.740 1.00 0.00 C ATOM 523 NH1 ARG A 32 4.920 18.140 19.968 1.00 0.00 N ATOM 524 NH2 ARG A 32 7.098 18.974 20.342 1.00 0.00 N ATOM 0 H ARG A 32 3.334 14.436 16.992 1.00 0.00 H new ATOM 0 HA ARG A 32 5.313 15.475 15.230 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.333 13.499 17.488 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.593 13.344 16.279 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.444 14.697 18.086 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.255 15.721 16.677 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.155 16.660 17.618 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.291 15.605 19.010 1.00 0.00 H new ATOM 0 HE ARG A 32 7.784 17.079 18.740 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.295 17.471 19.519 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.541 18.856 20.588 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.103 18.929 20.172 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.716 19.689 20.961 1.00 0.00 H new ATOM 538 N ARG A 33 3.819 12.561 14.762 1.00 0.00 N ATOM 539 CA ARG A 33 3.584 11.527 13.789 1.00 0.00 C ATOM 540 C ARG A 33 2.898 12.159 12.606 1.00 0.00 C ATOM 541 O ARG A 33 3.146 11.785 11.461 1.00 0.00 O ATOM 542 CB ARG A 33 2.739 10.372 14.372 1.00 0.00 C ATOM 543 CG ARG A 33 2.902 8.998 13.711 1.00 0.00 C ATOM 544 CD ARG A 33 4.226 8.296 14.041 1.00 0.00 C ATOM 545 NE ARG A 33 4.336 8.100 15.515 1.00 0.00 N ATOM 546 CZ ARG A 33 5.422 7.459 16.039 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.379 6.940 15.215 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.556 7.337 17.391 1.00 0.00 N ATOM 0 H ARG A 33 3.172 12.548 15.550 1.00 0.00 H new ATOM 0 HA ARG A 33 4.533 11.085 13.486 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.983 10.272 15.430 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.688 10.656 14.313 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.077 8.357 14.021 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.825 9.116 12.630 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.276 7.334 13.532 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.065 8.891 13.680 1.00 0.00 H new ATOM 0 HE ARG A 33 3.600 8.445 16.132 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.285 7.030 14.203 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.188 6.462 15.611 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.845 7.725 18.011 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.367 6.858 17.782 1.00 0.00 H new ATOM 562 N GLY A 34 2.054 13.175 12.889 1.00 0.00 N ATOM 563 CA GLY A 34 1.530 14.106 11.924 1.00 0.00 C ATOM 564 C GLY A 34 0.382 13.546 11.180 1.00 0.00 C ATOM 565 O GLY A 34 0.442 13.272 9.983 1.00 0.00 O ATOM 0 H GLY A 34 1.720 13.357 13.836 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.222 15.020 12.432 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.317 14.382 11.222 1.00 0.00 H new ATOM 569 N LEU A 35 -0.722 13.435 11.928 1.00 0.00 N ATOM 570 CA LEU A 35 -2.032 13.178 11.430 1.00 0.00 C ATOM 571 C LEU A 35 -2.768 14.452 11.585 1.00 0.00 C ATOM 572 O LEU A 35 -3.955 14.558 11.285 1.00 0.00 O ATOM 573 CB LEU A 35 -2.792 12.286 12.385 1.00 0.00 C ATOM 574 CG LEU A 35 -2.288 10.842 12.523 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.421 10.084 11.196 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.908 10.619 13.178 1.00 0.00 C ATOM 0 H LEU A 35 -0.700 13.530 12.943 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.957 12.761 10.426 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.774 12.749 13.372 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.834 12.255 12.066 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.961 10.418 13.268 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.057 9.064 11.321 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.468 10.061 10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.833 10.587 10.429 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.687 9.552 13.206 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.142 11.133 12.597 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.919 11.014 14.194 1.00 0.00 H new ATOM 588 N THR A 36 -2.032 15.434 12.121 1.00 0.00 N ATOM 589 CA THR A 36 -2.568 16.686 12.613 1.00 0.00 C ATOM 590 C THR A 36 -2.841 17.684 11.513 1.00 0.00 C ATOM 591 O THR A 36 -3.376 18.760 11.770 1.00 0.00 O ATOM 592 CB THR A 36 -1.678 17.329 13.664 1.00 0.00 C ATOM 593 OG1 THR A 36 -2.332 18.402 14.327 1.00 0.00 O ATOM 594 CG2 THR A 36 -0.340 17.805 13.058 1.00 0.00 C ATOM 0 H THR A 36 -1.019 15.366 12.222 1.00 0.00 H new ATOM 0 HA THR A 36 -3.518 16.417 13.075 1.00 0.00 H new ATOM 0 HB THR A 36 -1.463 16.560 14.406 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.863 18.911 13.680 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.271 18.260 13.838 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.190 16.953 12.632 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.535 18.539 12.276 1.00 0.00 H new ATOM 602 N SER A 37 -2.499 17.355 10.253 1.00 0.00 N ATOM 603 CA SER A 37 -2.792 18.231 9.152 1.00 0.00 C ATOM 604 C SER A 37 -3.482 17.422 8.091 1.00 0.00 C ATOM 605 O SER A 37 -2.802 16.631 7.437 1.00 0.00 O ATOM 606 CB SER A 37 -1.528 18.855 8.539 1.00 0.00 C ATOM 607 OG SER A 37 -1.879 19.697 7.451 1.00 0.00 O ATOM 0 H SER A 37 -2.023 16.490 9.995 1.00 0.00 H new ATOM 0 HA SER A 37 -3.414 19.045 9.524 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.993 19.429 9.295 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.853 18.069 8.198 1.00 0.00 H new ATOM 0 HG SER A 37 -1.068 20.091 7.068 1.00 0.00 H new ATOM 613 N PRO A 38 -4.776 17.556 7.823 1.00 0.00 N ATOM 614 CA PRO A 38 -5.806 18.083 8.686 1.00 0.00 C ATOM 615 C PRO A 38 -6.059 17.047 9.748 1.00 0.00 C ATOM 616 O PRO A 38 -5.815 15.865 9.504 1.00 0.00 O ATOM 617 CB PRO A 38 -7.025 18.223 7.771 1.00 0.00 C ATOM 618 CG PRO A 38 -6.825 17.161 6.686 1.00 0.00 C ATOM 619 CD PRO A 38 -5.302 17.059 6.566 1.00 0.00 C ATOM 0 HA PRO A 38 -5.559 19.029 9.168 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.952 18.058 8.320 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.083 19.222 7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.270 16.208 6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.283 17.459 5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.991 16.029 6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.935 17.650 5.727 1.00 0.00 H new ATOM 627 N CYS A 39 -6.541 17.497 10.930 1.00 0.00 N ATOM 628 CA CYS A 39 -6.705 16.713 12.109 1.00 0.00 C ATOM 629 C CYS A 39 -7.684 15.605 11.917 1.00 0.00 C ATOM 630 O CYS A 39 -8.838 15.825 11.546 1.00 0.00 O ATOM 631 CB CYS A 39 -7.188 17.600 13.263 1.00 0.00 C ATOM 632 SG CYS A 39 -6.064 19.006 13.479 1.00 0.00 S ATOM 0 H CYS A 39 -6.831 18.466 11.061 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.733 16.276 12.340 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.197 17.959 13.059 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.237 17.018 14.184 1.00 0.00 H new ATOM 637 N LYS A 40 -7.189 14.377 12.178 1.00 0.00 N ATOM 638 CA LYS A 40 -7.939 13.159 12.101 1.00 0.00 C ATOM 639 C LYS A 40 -8.833 13.145 13.295 1.00 0.00 C ATOM 640 O LYS A 40 -8.424 13.551 14.383 1.00 0.00 O ATOM 641 CB LYS A 40 -6.999 11.933 12.137 1.00 0.00 C ATOM 642 CG LYS A 40 -7.654 10.545 12.035 1.00 0.00 C ATOM 643 CD LYS A 40 -8.363 10.281 10.698 1.00 0.00 C ATOM 644 CE LYS A 40 -9.025 8.900 10.633 1.00 0.00 C ATOM 645 NZ LYS A 40 -8.022 7.826 10.807 1.00 0.00 N ATOM 0 H LYS A 40 -6.219 14.228 12.456 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.504 13.109 11.170 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.284 12.031 11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.429 11.971 13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.889 9.783 12.185 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.376 10.436 12.844 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.120 11.049 10.537 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.641 10.370 9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.787 8.821 11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.531 8.779 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.457 6.906 10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.223 7.990 10.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.680 7.826 11.789 1.00 0.00 H new ATOM 659 N ASP A 41 -10.088 12.692 13.084 1.00 0.00 N ATOM 660 CA ASP A 41 -11.137 12.777 14.057 1.00 0.00 C ATOM 661 C ASP A 41 -10.992 11.744 15.123 1.00 0.00 C ATOM 662 O ASP A 41 -11.227 12.042 16.291 1.00 0.00 O ATOM 663 CB ASP A 41 -12.532 12.602 13.443 1.00 0.00 C ATOM 664 CG ASP A 41 -12.707 13.661 12.364 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.659 14.873 12.708 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.889 13.271 11.180 1.00 0.00 O ATOM 0 H ASP A 41 -10.379 12.254 12.210 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.044 13.778 14.478 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.639 11.604 13.018 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.301 12.707 14.208 1.00 0.00 H new ATOM 671 N ILE A 42 -10.629 10.499 14.759 1.00 0.00 N ATOM 672 CA ILE A 42 -10.442 9.499 15.768 1.00 0.00 C ATOM 673 C ILE A 42 -9.490 8.498 15.200 1.00 0.00 C ATOM 674 O ILE A 42 -9.624 8.075 14.053 1.00 0.00 O ATOM 675 CB ILE A 42 -11.743 8.857 16.256 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.502 8.009 17.524 1.00 0.00 C ATOM 677 CG2 ILE A 42 -12.472 8.080 15.135 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.801 7.554 18.190 1.00 0.00 C ATOM 0 H ILE A 42 -10.469 10.191 13.800 1.00 0.00 H new ATOM 0 HA ILE A 42 -10.038 9.960 16.669 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.423 9.661 16.539 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.908 7.134 17.262 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.917 8.589 18.238 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.389 7.643 15.532 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.718 8.761 14.320 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.824 7.287 14.762 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.568 6.962 19.075 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.386 8.427 18.480 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.376 6.948 17.490 1.00 0.00 H new ATOM 690 N ASN A 43 -8.485 8.099 16.006 1.00 0.00 N ATOM 691 CA ASN A 43 -7.611 7.038 15.581 1.00 0.00 C ATOM 692 C ASN A 43 -7.075 6.425 16.823 1.00 0.00 C ATOM 693 O ASN A 43 -7.242 6.986 17.901 1.00 0.00 O ATOM 694 CB ASN A 43 -6.451 7.460 14.649 1.00 0.00 C ATOM 695 CG ASN A 43 -5.414 8.313 15.378 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.726 9.217 16.162 1.00 0.00 O ATOM 697 ND2 ASN A 43 -4.118 7.999 15.075 1.00 0.00 N ATOM 0 H ASN A 43 -8.279 8.494 16.923 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.193 6.348 14.970 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.969 6.570 14.244 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.851 8.019 13.803 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.353 8.521 15.503 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.916 7.243 14.421 1.00 0.00 H new ATOM 704 N THR A 44 -6.441 5.245 16.695 1.00 0.00 N ATOM 705 CA THR A 44 -6.013 4.492 17.838 1.00 0.00 C ATOM 706 C THR A 44 -4.580 4.137 17.667 1.00 0.00 C ATOM 707 O THR A 44 -4.201 3.549 16.658 1.00 0.00 O ATOM 708 CB THR A 44 -6.832 3.241 17.996 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.162 3.619 18.299 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.319 2.357 19.139 1.00 0.00 C ATOM 0 H THR A 44 -6.223 4.810 15.798 1.00 0.00 H new ATOM 0 HA THR A 44 -6.147 5.098 18.734 1.00 0.00 H new ATOM 0 HB THR A 44 -6.766 2.673 17.068 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.759 2.854 18.161 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.941 1.465 19.216 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.288 2.065 18.938 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.363 2.912 20.076 1.00 0.00 H new ATOM 718 N PHE A 45 -3.762 4.466 18.689 1.00 0.00 N ATOM 719 CA PHE A 45 -2.406 4.009 18.731 1.00 0.00 C ATOM 720 C PHE A 45 -2.364 2.746 19.533 1.00 0.00 C ATOM 721 O PHE A 45 -2.856 2.702 20.657 1.00 0.00 O ATOM 722 CB PHE A 45 -1.388 4.997 19.325 1.00 0.00 C ATOM 723 CG PHE A 45 -1.290 6.183 18.423 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.183 7.221 18.592 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.338 6.276 17.416 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.160 8.311 17.753 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.315 7.367 16.573 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.225 8.386 16.739 1.00 0.00 C ATOM 0 H PHE A 45 -4.040 5.045 19.481 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.107 3.872 17.692 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.699 5.306 20.323 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.414 4.519 19.428 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.908 7.177 19.391 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.390 5.488 17.292 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.874 9.110 17.887 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.418 7.422 15.782 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.208 9.241 16.079 1.00 0.00 H new ATOM 738 N ILE A 46 -1.767 1.688 18.947 1.00 0.00 N ATOM 739 CA ILE A 46 -1.667 0.383 19.543 1.00 0.00 C ATOM 740 C ILE A 46 -0.344 0.359 20.218 1.00 0.00 C ATOM 741 O ILE A 46 0.603 0.955 19.726 1.00 0.00 O ATOM 742 CB ILE A 46 -1.502 -0.730 18.519 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.289 -0.531 17.207 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.746 -2.102 19.163 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.793 -0.316 17.354 1.00 0.00 C ATOM 0 H ILE A 46 -1.337 1.741 18.024 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.559 0.230 20.150 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.462 -0.686 18.195 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.869 0.327 16.682 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.127 -1.403 16.574 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.623 -2.883 18.413 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.030 -2.258 19.970 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.759 -2.141 19.564 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.240 -0.188 16.368 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.238 -1.182 17.845 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.976 0.575 17.954 1.00 0.00 H new ATOM 757 N HIS A 47 -0.247 -0.344 21.357 1.00 0.00 N ATOM 758 CA HIS A 47 0.957 -0.438 22.130 1.00 0.00 C ATOM 759 C HIS A 47 1.072 -1.845 22.610 1.00 0.00 C ATOM 760 O HIS A 47 0.153 -2.386 23.230 1.00 0.00 O ATOM 761 CB HIS A 47 0.976 0.434 23.387 1.00 0.00 C ATOM 762 CG HIS A 47 0.121 1.651 23.283 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.318 2.667 22.379 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.958 2.013 24.017 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.638 3.586 22.607 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.442 3.235 23.591 1.00 0.00 N ATOM 0 H HIS A 47 -1.028 -0.865 21.756 1.00 0.00 H new ATOM 0 HA HIS A 47 1.765 -0.106 21.479 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.644 -0.162 24.237 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.002 0.738 23.593 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.050 2.715 21.670 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.380 1.429 24.821 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.735 4.505 22.048 1.00 0.00 H new ATOM 774 N GLY A 48 2.239 -2.459 22.354 1.00 0.00 N ATOM 775 CA GLY A 48 2.471 -3.787 22.827 1.00 0.00 C ATOM 776 C GLY A 48 3.697 -4.245 22.128 1.00 0.00 C ATOM 777 O GLY A 48 4.545 -3.429 21.769 1.00 0.00 O ATOM 0 H GLY A 48 3.010 -2.046 21.829 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.607 -3.801 23.908 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.625 -4.437 22.604 1.00 0.00 H new ATOM 781 N ASN A 49 3.802 -5.573 21.923 1.00 0.00 N ATOM 782 CA ASN A 49 4.895 -6.132 21.186 1.00 0.00 C ATOM 783 C ASN A 49 4.442 -6.165 19.763 1.00 0.00 C ATOM 784 O ASN A 49 3.278 -6.423 19.463 1.00 0.00 O ATOM 785 CB ASN A 49 5.263 -7.562 21.635 1.00 0.00 C ATOM 786 CG ASN A 49 6.765 -7.814 21.466 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.355 -7.627 20.396 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.396 -8.269 22.591 1.00 0.00 N ATOM 0 H ASN A 49 3.130 -6.259 22.268 1.00 0.00 H new ATOM 0 HA ASN A 49 5.789 -5.529 21.345 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.980 -7.705 22.678 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.699 -8.289 21.050 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.396 -8.469 22.569 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.867 -8.408 23.452 1.00 0.00 H new ATOM 795 N LYS A 50 5.385 -5.925 18.836 1.00 0.00 N ATOM 796 CA LYS A 50 5.101 -5.876 17.433 1.00 0.00 C ATOM 797 C LYS A 50 5.004 -7.284 16.925 1.00 0.00 C ATOM 798 O LYS A 50 4.390 -7.534 15.890 1.00 0.00 O ATOM 799 CB LYS A 50 6.291 -5.229 16.690 1.00 0.00 C ATOM 800 CG LYS A 50 6.100 -4.908 15.203 1.00 0.00 C ATOM 801 CD LYS A 50 7.343 -4.211 14.631 1.00 0.00 C ATOM 802 CE LYS A 50 7.241 -3.932 13.133 1.00 0.00 C ATOM 803 NZ LYS A 50 8.440 -3.212 12.655 1.00 0.00 N ATOM 0 H LYS A 50 6.366 -5.761 19.064 1.00 0.00 H new ATOM 0 HA LYS A 50 4.182 -5.313 17.270 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.547 -4.303 17.205 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.149 -5.894 16.784 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.906 -5.827 14.650 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.227 -4.268 15.074 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.499 -3.270 15.159 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.219 -4.832 14.819 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.133 -4.871 12.589 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.349 -3.340 12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.353 -3.031 11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.526 -2.307 13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.286 -3.790 12.833 1.00 0.00 H new ATOM 817 N ARG A 51 5.622 -8.233 17.667 1.00 0.00 N ATOM 818 CA ARG A 51 5.578 -9.638 17.386 1.00 0.00 C ATOM 819 C ARG A 51 4.220 -10.183 17.660 1.00 0.00 C ATOM 820 O ARG A 51 3.770 -11.094 16.966 1.00 0.00 O ATOM 821 CB ARG A 51 6.565 -10.453 18.240 1.00 0.00 C ATOM 822 CG ARG A 51 8.031 -10.069 18.005 1.00 0.00 C ATOM 823 CD ARG A 51 8.988 -10.862 18.902 1.00 0.00 C ATOM 824 NE ARG A 51 10.388 -10.428 18.603 1.00 0.00 N ATOM 825 CZ ARG A 51 11.016 -9.436 19.303 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.379 -8.776 20.314 1.00 0.00 N ATOM 827 NH2 ARG A 51 12.301 -9.099 18.984 1.00 0.00 N ATOM 0 H ARG A 51 6.173 -8.008 18.495 1.00 0.00 H new ATOM 0 HA ARG A 51 5.848 -9.733 16.334 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.324 -10.313 19.294 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.435 -11.513 18.021 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.287 -10.243 16.960 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.160 -9.003 18.192 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.754 -10.689 19.952 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.876 -11.931 18.723 1.00 0.00 H new ATOM 0 HE ARG A 51 10.894 -10.890 17.847 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.419 -9.021 20.558 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.863 -8.038 20.826 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.784 -9.586 18.229 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.778 -8.360 19.501 1.00 0.00 H new ATOM 841 N SER A 52 3.540 -9.629 18.684 1.00 0.00 N ATOM 842 CA SER A 52 2.208 -9.995 19.007 1.00 0.00 C ATOM 843 C SER A 52 1.233 -9.382 18.058 1.00 0.00 C ATOM 844 O SER A 52 0.222 -10.029 17.806 1.00 0.00 O ATOM 845 CB SER A 52 1.827 -9.799 20.483 1.00 0.00 C ATOM 846 OG SER A 52 2.062 -8.484 20.944 1.00 0.00 O ATOM 0 H SER A 52 3.931 -8.912 19.295 1.00 0.00 H new ATOM 0 HA SER A 52 2.157 -11.076 18.876 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.773 -10.042 20.616 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.395 -10.500 21.095 1.00 0.00 H new ATOM 0 HG SER A 52 2.455 -7.950 20.222 1.00 0.00 H new ATOM 852 N ILE A 53 1.506 -8.168 17.497 1.00 0.00 N ATOM 853 CA ILE A 53 0.703 -7.598 16.422 1.00 0.00 C ATOM 854 C ILE A 53 0.674 -8.519 15.219 1.00 0.00 C ATOM 855 O ILE A 53 -0.407 -8.806 14.700 1.00 0.00 O ATOM 856 CB ILE A 53 1.090 -6.163 16.032 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.363 -5.123 16.919 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.783 -5.821 14.554 1.00 0.00 C ATOM 859 CD1 ILE A 53 1.270 -4.388 17.899 1.00 0.00 C ATOM 0 H ILE A 53 2.285 -7.578 17.788 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.307 -7.514 16.822 1.00 0.00 H new ATOM 0 HB ILE A 53 2.169 -6.115 16.182 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.124 -4.391 16.275 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.424 -5.628 17.479 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.082 -4.793 14.349 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.336 -6.497 13.902 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.285 -5.932 14.369 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.680 -3.679 18.480 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.738 -5.107 18.571 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.042 -3.851 17.348 1.00 0.00 H new ATOM 871 N LYS A 54 1.852 -9.018 14.761 1.00 0.00 N ATOM 872 CA LYS A 54 1.953 -9.886 13.610 1.00 0.00 C ATOM 873 C LYS A 54 1.278 -11.202 13.849 1.00 0.00 C ATOM 874 O LYS A 54 0.651 -11.759 12.946 1.00 0.00 O ATOM 875 CB LYS A 54 3.402 -10.231 13.229 1.00 0.00 C ATOM 876 CG LYS A 54 4.213 -9.032 12.726 1.00 0.00 C ATOM 877 CD LYS A 54 5.664 -9.409 12.403 1.00 0.00 C ATOM 878 CE LYS A 54 6.510 -8.217 11.950 1.00 0.00 C ATOM 879 NZ LYS A 54 7.889 -8.651 11.640 1.00 0.00 N ATOM 0 H LYS A 54 2.750 -8.814 15.199 1.00 0.00 H new ATOM 0 HA LYS A 54 1.476 -9.319 12.810 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.904 -10.658 14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.391 -11.000 12.456 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.738 -8.623 11.834 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.203 -8.246 13.481 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.121 -9.856 13.285 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.670 -10.168 11.621 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.060 -7.757 11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.528 -7.458 12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.451 -7.831 11.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.321 -9.069 12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.867 -9.359 10.879 1.00 0.00 H new ATOM 893 N ALA A 55 1.375 -11.716 15.097 1.00 0.00 N ATOM 894 CA ALA A 55 0.817 -12.982 15.479 1.00 0.00 C ATOM 895 C ALA A 55 -0.670 -12.945 15.710 1.00 0.00 C ATOM 896 O ALA A 55 -1.239 -13.965 16.095 1.00 0.00 O ATOM 897 CB ALA A 55 1.455 -13.537 16.761 1.00 0.00 C ATOM 0 H ALA A 55 1.855 -11.237 15.859 1.00 0.00 H new ATOM 0 HA ALA A 55 1.034 -13.626 14.627 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.999 -14.496 17.009 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.525 -13.673 16.605 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.294 -12.836 17.580 1.00 0.00 H new ATOM 903 N ILE A 56 -1.354 -11.798 15.450 1.00 0.00 N ATOM 904 CA ILE A 56 -2.793 -11.764 15.479 1.00 0.00 C ATOM 905 C ILE A 56 -3.304 -12.416 14.224 1.00 0.00 C ATOM 906 O ILE A 56 -4.411 -12.953 14.210 1.00 0.00 O ATOM 907 CB ILE A 56 -3.372 -10.365 15.618 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.858 -9.655 16.889 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.912 -10.402 15.632 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.876 -10.516 18.154 1.00 0.00 C ATOM 0 H ILE A 56 -0.913 -10.907 15.223 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.118 -12.304 16.369 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.037 -9.798 14.750 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.838 -9.315 16.712 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.464 -8.766 17.062 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.299 -9.388 15.732 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.274 -10.838 14.701 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.254 -11.006 16.473 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.498 -9.935 18.995 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.897 -10.835 18.363 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.245 -11.393 18.006 1.00 0.00 H new ATOM 922 N CYS A 57 -2.487 -12.422 13.144 1.00 0.00 N ATOM 923 CA CYS A 57 -2.863 -13.051 11.907 1.00 0.00 C ATOM 924 C CYS A 57 -2.805 -14.547 12.007 1.00 0.00 C ATOM 925 O CYS A 57 -3.494 -15.244 11.265 1.00 0.00 O ATOM 926 CB CYS A 57 -1.953 -12.650 10.749 1.00 0.00 C ATOM 927 SG CYS A 57 -1.780 -10.853 10.677 1.00 0.00 S ATOM 0 H CYS A 57 -1.563 -11.989 13.130 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.882 -12.714 11.716 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.973 -13.111 10.872 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.364 -13.020 9.810 1.00 0.00 H new ATOM 932 N GLU A 58 -1.976 -15.063 12.943 1.00 0.00 N ATOM 933 CA GLU A 58 -1.910 -16.463 13.251 1.00 0.00 C ATOM 934 C GLU A 58 -3.059 -16.804 14.148 1.00 0.00 C ATOM 935 O GLU A 58 -3.688 -15.933 14.746 1.00 0.00 O ATOM 936 CB GLU A 58 -0.622 -16.852 14.003 1.00 0.00 C ATOM 937 CG GLU A 58 0.667 -16.446 13.277 1.00 0.00 C ATOM 938 CD GLU A 58 0.705 -17.117 11.910 1.00 0.00 C ATOM 939 OE1 GLU A 58 0.713 -18.375 11.865 1.00 0.00 O ATOM 940 OE2 GLU A 58 0.725 -16.375 10.891 1.00 0.00 O ATOM 0 H GLU A 58 -1.338 -14.492 13.497 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.934 -17.001 12.303 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.634 -16.387 14.989 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.615 -17.931 14.159 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.709 -15.363 13.165 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.537 -16.740 13.864 1.00 0.00 H new ATOM 947 N ASN A 59 -3.333 -18.122 14.276 1.00 0.00 N ATOM 948 CA ASN A 59 -4.442 -18.627 15.039 1.00 0.00 C ATOM 949 C ASN A 59 -3.986 -18.936 16.442 1.00 0.00 C ATOM 950 O ASN A 59 -4.770 -19.378 17.281 1.00 0.00 O ATOM 951 CB ASN A 59 -5.023 -19.903 14.389 1.00 0.00 C ATOM 952 CG ASN A 59 -6.384 -20.264 14.993 1.00 0.00 C ATOM 953 OD1 ASN A 59 -7.304 -19.439 15.044 1.00 0.00 O ATOM 954 ND2 ASN A 59 -6.496 -21.546 15.454 1.00 0.00 N ATOM 0 H ASN A 59 -2.771 -18.853 13.839 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.223 -17.867 15.062 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.128 -19.751 13.315 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.330 -20.733 14.527 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.373 -21.865 15.866 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.703 -22.184 15.386 1.00 0.00 H new ATOM 961 N LYS A 60 -2.688 -18.700 16.729 1.00 0.00 N ATOM 962 CA LYS A 60 -2.105 -19.004 18.001 1.00 0.00 C ATOM 963 C LYS A 60 -2.378 -17.914 18.985 1.00 0.00 C ATOM 964 O LYS A 60 -2.497 -18.176 20.181 1.00 0.00 O ATOM 965 CB LYS A 60 -0.576 -19.158 17.926 1.00 0.00 C ATOM 966 CG LYS A 60 -0.130 -20.266 16.964 1.00 0.00 C ATOM 967 CD LYS A 60 1.392 -20.442 16.929 1.00 0.00 C ATOM 968 CE LYS A 60 1.838 -21.556 15.978 1.00 0.00 C ATOM 969 NZ LYS A 60 3.312 -21.685 15.996 1.00 0.00 N ATOM 0 H LYS A 60 -2.033 -18.290 16.063 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.557 -19.946 18.312 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.136 -18.212 17.610 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.189 -19.372 18.922 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.594 -21.207 17.260 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.488 -20.036 15.961 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.855 -19.503 16.624 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.751 -20.663 17.934 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.380 -22.500 16.272 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.497 -21.338 14.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.602 -22.444 15.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.743 -20.788 15.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.629 -21.914 16.960 1.00 0.00 H new ATOM 983 N ASN A 61 -2.443 -16.662 18.494 1.00 0.00 N ATOM 984 CA ASN A 61 -2.489 -15.513 19.353 1.00 0.00 C ATOM 985 C ASN A 61 -3.555 -14.595 18.831 1.00 0.00 C ATOM 986 O ASN A 61 -3.741 -13.483 19.321 1.00 0.00 O ATOM 987 CB ASN A 61 -1.106 -14.829 19.417 1.00 0.00 C ATOM 988 CG ASN A 61 -1.058 -13.759 20.504 1.00 0.00 C ATOM 989 OD1 ASN A 61 -1.313 -14.031 21.682 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.713 -12.510 20.065 1.00 0.00 N ATOM 0 H ASN A 61 -2.464 -16.443 17.498 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.734 -15.800 20.375 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.338 -15.578 19.609 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.878 -14.378 18.451 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.654 -11.735 20.726 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.515 -12.353 19.077 1.00 0.00 H new ATOM 997 N GLY A 62 -4.317 -15.067 17.827 1.00 0.00 N ATOM 998 CA GLY A 62 -5.481 -14.355 17.385 1.00 0.00 C ATOM 999 C GLY A 62 -6.416 -15.411 16.910 1.00 0.00 C ATOM 1000 O GLY A 62 -6.246 -16.580 17.246 1.00 0.00 O ATOM 0 H GLY A 62 -4.131 -15.934 17.324 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.920 -13.773 18.195 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.237 -13.655 16.586 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.438 -15.023 16.121 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.364 -15.983 15.591 1.00 0.00 C ATOM 1006 C ASN A 63 -8.997 -15.302 14.414 1.00 0.00 C ATOM 1007 O ASN A 63 -8.959 -14.073 14.387 1.00 0.00 O ATOM 1008 CB ASN A 63 -9.452 -16.455 16.598 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.309 -15.302 17.127 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -11.400 -15.024 16.611 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.812 -14.650 18.222 1.00 0.00 N ATOM 0 H ASN A 63 -7.623 -14.057 15.852 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.832 -16.898 15.332 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.096 -17.188 16.113 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.971 -16.959 17.436 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.346 -13.895 18.652 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.907 -14.919 18.608 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.571 -16.004 13.442 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.230 -15.388 12.322 1.00 0.00 C ATOM 1020 C PRO A 64 -11.533 -14.840 12.822 1.00 0.00 C ATOM 1021 O PRO A 64 -12.245 -15.515 13.564 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.441 -16.512 11.303 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.322 -17.807 12.111 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.360 -17.425 13.235 1.00 0.00 C ATOM 0 HA PRO A 64 -9.669 -14.573 11.865 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.418 -16.433 10.825 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.694 -16.471 10.510 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.288 -18.130 12.499 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.931 -18.625 11.506 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.568 -17.991 14.143 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.327 -17.635 12.959 1.00 0.00 H new ATOM 1032 N HIS A 65 -11.832 -13.598 12.402 1.00 0.00 N ATOM 1033 CA HIS A 65 -12.971 -12.854 12.836 1.00 0.00 C ATOM 1034 C HIS A 65 -13.708 -12.518 11.586 1.00 0.00 C ATOM 1035 O HIS A 65 -13.290 -11.634 10.841 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.529 -11.556 13.539 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.628 -10.653 14.002 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.523 -11.009 14.973 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -13.879 -9.363 13.678 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.296 -9.962 15.229 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -14.924 -8.950 14.457 1.00 0.00 N ATOM 0 H HIS A 65 -11.254 -13.091 11.731 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.579 -13.418 13.544 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.918 -11.823 14.401 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.889 -10.996 12.856 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.353 -8.772 12.943 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.099 -9.938 15.950 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.346 -8.021 14.446 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.830 -13.236 11.349 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.675 -13.125 10.182 1.00 0.00 C ATOM 1052 C ARG A 66 -14.974 -13.663 8.973 1.00 0.00 C ATOM 1053 O ARG A 66 -15.000 -14.867 8.720 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.286 -11.736 9.855 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.424 -11.284 10.789 1.00 0.00 C ATOM 1056 CD ARG A 66 -16.982 -10.883 12.200 1.00 0.00 C ATOM 1057 NE ARG A 66 -18.167 -10.353 12.942 1.00 0.00 N ATOM 1058 CZ ARG A 66 -18.471 -9.020 12.980 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -17.705 -8.105 12.318 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -19.558 -8.601 13.692 1.00 0.00 N ATOM 0 H ARG A 66 -15.169 -13.936 12.009 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.540 -13.727 10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.492 -10.990 9.889 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.662 -11.754 8.832 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.936 -10.438 10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.152 -12.092 10.868 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.562 -11.742 12.723 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.199 -10.127 12.150 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.770 -11.009 13.438 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.892 -8.411 11.784 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.946 -7.115 12.357 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.135 -9.280 14.189 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.793 -7.609 13.727 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.362 -12.765 8.180 1.00 0.00 N ATOM 1075 CA GLU A 67 -13.780 -13.111 6.926 1.00 0.00 C ATOM 1076 C GLU A 67 -12.693 -12.115 6.728 1.00 0.00 C ATOM 1077 O GLU A 67 -12.947 -10.946 6.447 1.00 0.00 O ATOM 1078 CB GLU A 67 -14.770 -13.031 5.744 1.00 0.00 C ATOM 1079 CG GLU A 67 -14.168 -13.469 4.401 1.00 0.00 C ATOM 1080 CD GLU A 67 -15.287 -13.472 3.369 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -15.857 -12.378 3.109 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -15.582 -14.568 2.823 1.00 0.00 O ATOM 0 H GLU A 67 -14.271 -11.777 8.418 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.438 -14.146 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.636 -13.655 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.131 -12.006 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.372 -12.789 4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.724 -14.461 4.486 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.450 -12.610 6.898 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.165 -12.009 6.601 1.00 0.00 C ATOM 1091 C ASN A 68 -9.727 -10.958 7.577 1.00 0.00 C ATOM 1092 O ASN A 68 -8.663 -10.363 7.407 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.892 -11.588 5.123 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.409 -10.199 4.699 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -9.780 -9.164 4.943 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -11.568 -10.206 3.973 1.00 0.00 N ATOM 0 H ASN A 68 -11.326 -13.543 7.290 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.514 -12.872 6.743 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.816 -11.619 4.952 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.340 -12.334 4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.947 -9.332 3.608 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.054 -11.085 3.796 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.524 -10.725 8.639 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.172 -9.808 9.677 1.00 0.00 C ATOM 1105 C LEU A 69 -9.777 -10.736 10.763 1.00 0.00 C ATOM 1106 O LEU A 69 -10.149 -11.905 10.713 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.331 -8.911 10.142 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.211 -8.324 9.010 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.333 -7.466 9.615 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.435 -7.491 7.975 1.00 0.00 C ATOM 0 H LEU A 69 -11.426 -11.181 8.777 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.410 -9.097 9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.968 -9.488 10.813 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.919 -8.086 10.724 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.618 -9.181 8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.949 -7.056 8.815 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.950 -8.082 10.268 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.897 -6.650 10.192 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.124 -7.117 7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.952 -6.650 8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.678 -8.115 7.500 1.00 0.00 H new ATOM 1122 N ARG A 70 -8.987 -10.273 11.747 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.518 -11.173 12.765 1.00 0.00 C ATOM 1124 C ARG A 70 -8.515 -10.410 14.035 1.00 0.00 C ATOM 1125 O ARG A 70 -7.762 -9.448 14.182 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.076 -11.701 12.605 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.879 -12.906 11.671 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.705 -12.569 10.188 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.217 -13.802 9.511 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.099 -13.857 8.153 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.463 -12.791 7.382 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -5.611 -14.986 7.560 1.00 0.00 N ATOM 0 H ARG A 70 -8.677 -9.306 11.842 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.179 -12.039 12.716 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.453 -10.884 12.241 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.702 -11.972 13.592 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.003 -13.462 12.004 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.737 -13.569 11.777 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.650 -12.240 9.755 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.994 -11.753 10.060 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.967 -14.617 10.071 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.826 -11.945 7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.371 -12.841 6.367 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.336 -15.784 8.132 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.521 -15.031 6.545 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.357 -10.856 14.989 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.434 -10.239 16.277 1.00 0.00 C ATOM 1148 C ILE A 71 -8.426 -10.934 17.131 1.00 0.00 C ATOM 1149 O ILE A 71 -8.214 -12.140 17.016 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.836 -10.264 16.884 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -10.946 -9.329 18.109 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.295 -11.698 17.211 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.390 -9.047 18.530 1.00 0.00 C ATOM 0 H ILE A 71 -9.987 -11.649 14.865 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.214 -9.174 16.197 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.519 -9.879 16.127 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.412 -9.776 18.947 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.450 -8.385 17.882 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.296 -11.670 17.641 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.308 -12.293 16.298 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.606 -12.146 17.926 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.394 -8.384 19.395 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.923 -8.571 17.707 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.883 -9.984 18.788 1.00 0.00 H new ATOM 1165 N SER A 72 -7.760 -10.149 17.995 1.00 0.00 N ATOM 1166 CA SER A 72 -6.704 -10.646 18.827 1.00 0.00 C ATOM 1167 C SER A 72 -7.217 -11.341 20.046 1.00 0.00 C ATOM 1168 O SER A 72 -8.362 -11.164 20.459 1.00 0.00 O ATOM 1169 CB SER A 72 -5.777 -9.525 19.307 1.00 0.00 C ATOM 1170 OG SER A 72 -6.469 -8.594 20.109 1.00 0.00 O ATOM 0 H SER A 72 -7.955 -9.156 18.120 1.00 0.00 H new ATOM 0 HA SER A 72 -6.159 -11.350 18.198 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.950 -9.952 19.874 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.344 -9.015 18.446 1.00 0.00 H new ATOM 0 HG SER A 72 -5.827 -7.985 20.531 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.323 -12.156 20.650 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.570 -12.824 21.895 1.00 0.00 C ATOM 1178 C LYS A 73 -5.693 -12.189 22.921 1.00 0.00 C ATOM 1179 O LYS A 73 -5.931 -12.350 24.118 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.198 -14.321 21.881 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.085 -15.195 20.979 1.00 0.00 C ATOM 1182 CD LYS A 73 -8.556 -15.299 21.418 1.00 0.00 C ATOM 1183 CE LYS A 73 -8.758 -15.966 22.782 1.00 0.00 C ATOM 1184 NZ LYS A 73 -10.202 -16.098 23.073 1.00 0.00 N ATOM 0 H LYS A 73 -5.402 -12.355 20.259 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.638 -12.740 22.097 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.162 -14.421 21.556 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.251 -14.704 22.900 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.051 -14.796 19.965 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.661 -16.198 20.941 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.986 -14.298 21.448 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.109 -15.861 20.666 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.286 -16.949 22.789 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.275 -15.375 23.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.329 -16.551 24.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.641 -15.155 23.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.652 -16.680 22.338 1.00 0.00 H new ATOM 1198 N SER A 74 -4.647 -11.461 22.471 1.00 0.00 N ATOM 1199 CA SER A 74 -3.732 -10.800 23.346 1.00 0.00 C ATOM 1200 C SER A 74 -4.027 -9.361 23.157 1.00 0.00 C ATOM 1201 O SER A 74 -3.426 -8.705 22.312 1.00 0.00 O ATOM 1202 CB SER A 74 -2.253 -11.052 23.014 1.00 0.00 C ATOM 1203 OG SER A 74 -1.415 -10.290 23.872 1.00 0.00 O ATOM 0 H SER A 74 -4.438 -11.332 21.481 1.00 0.00 H new ATOM 0 HA SER A 74 -3.863 -11.167 24.364 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.025 -12.113 23.121 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.057 -10.787 21.975 1.00 0.00 H new ATOM 0 HG SER A 74 -0.476 -10.462 23.650 1.00 0.00 H new ATOM 1209 N SER A 75 -4.996 -8.886 23.959 1.00 0.00 N ATOM 1210 CA SER A 75 -5.425 -7.516 24.071 1.00 0.00 C ATOM 1211 C SER A 75 -4.269 -6.594 24.321 1.00 0.00 C ATOM 1212 O SER A 75 -3.435 -6.824 25.194 1.00 0.00 O ATOM 1213 CB SER A 75 -6.440 -7.314 25.210 1.00 0.00 C ATOM 1214 OG SER A 75 -5.955 -7.881 26.418 1.00 0.00 O ATOM 0 H SER A 75 -5.522 -9.503 24.578 1.00 0.00 H new ATOM 0 HA SER A 75 -5.896 -7.280 23.117 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.629 -6.250 25.352 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.391 -7.774 24.942 1.00 0.00 H new ATOM 0 HG SER A 75 -5.487 -7.194 26.937 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.208 -5.525 23.501 1.00 0.00 N ATOM 1221 CA PHE A 76 -3.092 -4.625 23.473 1.00 0.00 C ATOM 1222 C PHE A 76 -3.553 -3.394 24.144 1.00 0.00 C ATOM 1223 O PHE A 76 -4.752 -3.126 24.207 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.648 -4.190 22.050 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.198 -5.338 21.196 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.146 -6.164 20.630 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.858 -5.550 20.884 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.769 -7.228 19.857 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.471 -6.615 20.082 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.443 -7.473 19.609 1.00 0.00 C ATOM 0 H PHE A 76 -4.949 -5.281 22.844 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.248 -5.135 23.937 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.477 -3.682 21.557 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.836 -3.468 22.134 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.195 -5.969 20.798 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.108 -4.876 21.272 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.522 -7.880 19.439 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.569 -6.769 19.833 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.157 -8.344 19.039 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.575 -2.617 24.649 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.831 -1.349 25.244 1.00 0.00 C ATOM 1242 C GLN A 77 -3.096 -0.466 24.098 1.00 0.00 C ATOM 1243 O GLN A 77 -2.382 -0.498 23.107 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.632 -0.885 26.105 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.921 0.227 27.125 1.00 0.00 C ATOM 1246 CD GLN A 77 -2.125 -0.313 28.542 1.00 0.00 C ATOM 1247 OE1 GLN A 77 -1.262 -1.000 29.101 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -3.307 0.042 29.133 1.00 0.00 N ATOM 0 H GLN A 77 -1.589 -2.879 24.642 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.671 -1.360 25.939 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.241 -1.749 26.642 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.843 -0.541 25.437 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.094 0.937 27.126 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.812 0.775 26.817 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.982 0.611 28.622 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.513 -0.262 30.084 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.182 0.306 24.188 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.705 0.962 23.037 1.00 0.00 C ATOM 1259 C VAL A 78 -5.139 2.282 23.584 1.00 0.00 C ATOM 1260 O VAL A 78 -5.873 2.333 24.566 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.825 0.112 22.460 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -7.161 0.850 22.224 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.219 -0.528 21.199 1.00 0.00 C ATOM 0 H VAL A 78 -4.698 0.478 25.051 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.014 1.104 22.206 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.147 -0.641 23.179 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.892 0.155 21.811 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.530 1.246 23.170 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.005 1.671 21.524 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.965 -1.161 20.718 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.908 0.255 20.507 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.355 -1.132 21.477 1.00 0.00 H new ATOM 1273 N THR A 79 -4.669 3.386 22.976 1.00 0.00 N ATOM 1274 CA THR A 79 -5.087 4.699 23.375 1.00 0.00 C ATOM 1275 C THR A 79 -5.726 5.275 22.174 1.00 0.00 C ATOM 1276 O THR A 79 -5.060 5.594 21.190 1.00 0.00 O ATOM 1277 CB THR A 79 -3.972 5.594 23.846 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.414 5.035 25.021 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.506 6.995 24.193 1.00 0.00 C ATOM 0 H THR A 79 -3.999 3.372 22.207 1.00 0.00 H new ATOM 0 HA THR A 79 -5.751 4.622 24.236 1.00 0.00 H new ATOM 0 HB THR A 79 -3.230 5.679 23.052 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.718 4.389 24.778 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.683 7.625 24.531 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.963 7.439 23.309 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.250 6.915 24.985 1.00 0.00 H new ATOM 1287 N THR A 80 -7.057 5.426 22.263 1.00 0.00 N ATOM 1288 CA THR A 80 -7.833 6.034 21.233 1.00 0.00 C ATOM 1289 C THR A 80 -7.738 7.511 21.443 1.00 0.00 C ATOM 1290 O THR A 80 -8.358 8.058 22.353 1.00 0.00 O ATOM 1291 CB THR A 80 -9.262 5.568 21.281 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.274 4.150 21.239 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.050 6.107 20.079 1.00 0.00 C ATOM 0 H THR A 80 -7.605 5.119 23.067 1.00 0.00 H new ATOM 0 HA THR A 80 -7.456 5.757 20.248 1.00 0.00 H new ATOM 0 HB THR A 80 -9.726 5.935 22.196 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.948 3.846 20.366 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.081 5.758 20.134 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.035 7.197 20.093 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.594 5.750 19.155 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.941 8.182 20.583 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.793 9.604 20.627 1.00 0.00 C ATOM 1303 C CYS A 81 -7.904 10.136 19.792 1.00 0.00 C ATOM 1304 O CYS A 81 -7.955 9.901 18.585 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.477 10.115 20.011 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.000 9.504 20.877 1.00 0.00 S ATOM 0 H CYS A 81 -6.395 7.729 19.850 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.798 9.924 21.669 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.430 9.810 18.965 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.475 11.205 20.026 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.828 10.854 20.451 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.023 11.325 19.823 1.00 0.00 C ATOM 1313 C LYS A 82 -9.922 12.817 19.851 1.00 0.00 C ATOM 1314 O LYS A 82 -9.516 13.394 20.856 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.282 10.833 20.574 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.594 10.965 19.786 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.476 12.147 20.207 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.657 12.375 19.259 1.00 0.00 C ATOM 1319 NZ LYS A 82 -15.523 11.176 19.209 1.00 0.00 N ATOM 0 H LYS A 82 -8.746 11.112 21.434 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.119 10.947 18.805 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.141 9.787 20.845 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.375 11.393 21.504 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.358 11.064 18.727 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.165 10.044 19.900 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.854 11.972 21.214 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.869 13.051 20.247 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.237 13.236 19.592 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.289 12.606 18.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.386 11.393 18.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.012 10.398 18.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.780 10.893 20.176 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.273 13.462 18.721 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.138 14.876 18.519 1.00 0.00 C ATOM 1335 C LEU A 83 -11.269 15.575 19.195 1.00 0.00 C ATOM 1336 O LEU A 83 -12.437 15.272 18.961 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.260 15.175 17.002 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.180 16.635 16.496 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -8.751 17.183 16.511 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -10.742 16.721 15.062 1.00 0.00 C ATOM 0 H LEU A 83 -10.667 12.979 17.914 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.179 15.210 18.915 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.476 14.612 16.496 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.213 14.766 16.666 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.775 17.244 17.177 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.751 18.210 16.147 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.363 17.159 17.529 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.120 16.570 15.868 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.684 17.751 14.710 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.158 16.078 14.403 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.782 16.395 15.059 1.00 0.00 H new ATOM 1352 N HIS A 84 -10.911 16.564 20.034 1.00 0.00 N ATOM 1353 CA HIS A 84 -11.853 17.429 20.673 1.00 0.00 C ATOM 1354 C HIS A 84 -11.519 18.805 20.211 1.00 0.00 C ATOM 1355 O HIS A 84 -10.509 19.015 19.540 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.769 17.340 22.201 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.205 15.981 22.653 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -13.514 15.675 22.907 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -11.497 14.836 22.775 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -13.592 14.382 23.191 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -12.380 13.850 23.119 1.00 0.00 N ATOM 0 H HIS A 84 -9.941 16.767 20.274 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.873 17.146 20.412 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.748 17.533 22.530 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -12.400 18.104 22.655 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.433 14.721 22.628 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -14.497 13.848 23.441 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -12.146 12.872 23.291 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.391 19.769 20.554 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.269 21.115 20.075 1.00 0.00 C ATOM 1372 C GLY A 85 -13.313 21.272 19.028 1.00 0.00 C ATOM 1373 O GLY A 85 -14.465 21.575 19.333 1.00 0.00 O ATOM 0 H GLY A 85 -13.190 19.616 21.170 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.415 21.832 20.883 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.275 21.295 19.665 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.919 21.050 17.760 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.854 21.121 16.677 1.00 0.00 C ATOM 1379 C GLY A 86 -13.172 21.639 15.455 1.00 0.00 C ATOM 1380 O GLY A 86 -13.782 21.665 14.387 1.00 0.00 O ATOM 0 H GLY A 86 -11.963 20.824 17.486 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.273 20.134 16.480 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.686 21.773 16.944 1.00 0.00 H new ATOM 1384 N SER A 87 -11.900 22.077 15.591 1.00 0.00 N ATOM 1385 CA SER A 87 -11.150 22.595 14.481 1.00 0.00 C ATOM 1386 C SER A 87 -10.637 21.433 13.662 1.00 0.00 C ATOM 1387 O SER A 87 -10.092 20.495 14.244 1.00 0.00 O ATOM 1388 CB SER A 87 -9.943 23.440 14.930 1.00 0.00 C ATOM 1389 OG SER A 87 -9.138 22.721 15.853 1.00 0.00 O ATOM 0 H SER A 87 -11.390 22.072 16.474 1.00 0.00 H new ATOM 0 HA SER A 87 -11.815 23.237 13.903 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.346 23.720 14.062 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.292 24.365 15.389 1.00 0.00 H new ATOM 0 HG SER A 87 -9.113 21.775 15.598 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.765 21.429 12.339 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.223 20.373 11.532 1.00 0.00 C ATOM 1397 C PRO A 88 -8.831 20.771 11.125 1.00 0.00 C ATOM 1398 O PRO A 88 -8.153 19.926 10.547 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.135 20.310 10.305 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.728 21.715 10.178 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.746 22.226 11.618 1.00 0.00 C ATOM 0 HA PRO A 88 -10.175 19.412 12.043 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.575 20.036 9.411 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.917 19.562 10.433 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.120 22.351 9.534 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.729 21.691 9.748 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.494 23.286 11.659 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.737 22.117 12.058 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.393 22.024 11.372 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.103 22.486 10.947 1.00 0.00 C ATOM 1411 C TRP A 89 -6.275 22.641 12.185 1.00 0.00 C ATOM 1412 O TRP A 89 -6.869 22.822 13.247 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.202 23.843 10.230 1.00 0.00 C ATOM 1414 CG TRP A 89 -8.032 23.743 8.977 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.302 24.186 8.756 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.626 23.052 7.784 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.709 23.831 7.492 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.689 23.127 6.885 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.469 22.398 7.464 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -8.611 22.550 5.650 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.390 21.813 6.217 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.444 21.887 5.325 1.00 0.00 C ATOM 0 H TRP A 89 -8.941 22.724 11.872 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.664 21.777 10.245 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.642 24.580 10.902 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.202 24.197 9.979 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.900 24.735 9.469 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.613 24.051 7.073 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.647 22.341 8.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.433 22.610 4.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.490 21.288 5.933 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -7.353 21.418 4.357 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.946 22.581 12.123 1.00 0.00 N ATOM 1434 CA PRO A 90 -4.120 22.573 13.300 1.00 0.00 C ATOM 1435 C PRO A 90 -4.085 23.990 13.839 1.00 0.00 C ATOM 1436 O PRO A 90 -4.107 24.900 13.010 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.734 22.124 12.822 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.743 22.315 11.304 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.216 22.146 10.944 1.00 0.00 C ATOM 0 HA PRO A 90 -4.479 21.913 14.090 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.947 22.718 13.287 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.546 21.083 13.085 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.368 23.298 11.019 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.118 21.577 10.801 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.480 22.746 10.073 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.445 21.109 10.699 1.00 0.00 H new ATOM 1447 N PRO A 91 -4.016 24.266 15.133 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.717 23.328 16.178 1.00 0.00 C ATOM 1449 C PRO A 91 -4.983 22.659 16.590 1.00 0.00 C ATOM 1450 O PRO A 91 -6.075 23.125 16.268 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.183 24.168 17.328 1.00 0.00 C ATOM 1452 CG PRO A 91 -3.828 25.533 17.107 1.00 0.00 C ATOM 1453 CD PRO A 91 -3.893 25.636 15.583 1.00 0.00 C ATOM 0 HA PRO A 91 -3.003 22.564 15.870 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.459 23.746 18.294 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.095 24.231 17.307 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.818 25.590 17.559 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.233 26.336 17.541 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.743 26.237 15.262 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -2.998 26.108 15.178 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.813 21.532 17.294 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.876 20.605 17.546 1.00 0.00 C ATOM 1463 C CYS A 92 -5.583 19.929 18.839 1.00 0.00 C ATOM 1464 O CYS A 92 -4.508 19.359 19.025 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.972 19.501 16.474 1.00 0.00 C ATOM 1466 SG CYS A 92 -6.864 20.073 14.998 1.00 0.00 S ATOM 0 H CYS A 92 -3.919 21.254 17.699 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.812 21.164 17.548 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.969 19.180 16.192 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.479 18.631 16.892 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.570 19.980 19.756 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.481 19.320 21.026 1.00 0.00 C ATOM 1473 C GLN A 93 -6.945 17.919 20.818 1.00 0.00 C ATOM 1474 O GLN A 93 -8.016 17.687 20.264 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.377 19.975 22.099 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.237 19.361 23.499 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.123 20.163 24.449 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -7.862 21.337 24.731 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -9.204 19.488 24.949 1.00 0.00 N ATOM 0 H GLN A 93 -7.443 20.487 19.614 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.453 19.380 21.382 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.139 21.037 22.155 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.417 19.898 21.783 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.538 18.313 23.489 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.198 19.391 23.828 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.369 18.518 24.680 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.845 19.955 25.591 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.132 16.952 21.277 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.508 15.571 21.270 1.00 0.00 C ATOM 1490 C TYR A 94 -6.597 15.157 22.687 1.00 0.00 C ATOM 1491 O TYR A 94 -5.696 15.439 23.473 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.452 14.664 20.648 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.522 14.829 19.185 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.460 14.097 18.495 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.670 15.679 18.508 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.563 14.214 17.129 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.788 15.822 17.141 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.721 15.073 16.455 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.777 15.135 15.053 1.00 0.00 O ATOM 0 H TYR A 94 -5.202 17.129 21.658 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.431 15.478 20.698 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.460 14.926 21.015 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.630 13.625 20.924 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.118 13.427 19.028 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.914 16.230 19.047 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.298 13.637 16.588 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.153 16.517 16.611 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.584 14.677 14.737 1.00 0.00 H new ATOM 1509 N ARG A 95 -7.695 14.458 23.030 1.00 0.00 N ATOM 1510 CA ARG A 95 -7.827 13.898 24.349 1.00 0.00 C ATOM 1511 C ARG A 95 -7.762 12.414 24.235 1.00 0.00 C ATOM 1512 O ARG A 95 -8.362 11.825 23.338 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.130 14.258 25.077 1.00 0.00 C ATOM 1514 CG ARG A 95 -9.302 15.771 25.278 1.00 0.00 C ATOM 1515 CD ARG A 95 -10.630 16.148 25.940 1.00 0.00 C ATOM 1516 NE ARG A 95 -10.679 15.522 27.291 1.00 0.00 N ATOM 1517 CZ ARG A 95 -11.820 15.576 28.037 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -12.923 16.228 27.565 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -11.857 14.977 29.264 1.00 0.00 N ATOM 0 H ARG A 95 -8.483 14.280 22.408 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.015 14.322 24.940 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.977 13.873 24.508 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.147 13.763 26.048 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.481 16.145 25.889 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.232 16.269 24.311 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.719 17.231 26.021 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.467 15.804 25.333 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.854 15.050 27.661 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.897 16.678 26.650 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.773 16.265 28.127 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.033 14.492 29.620 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.708 15.015 29.825 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.022 11.786 25.170 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.855 10.362 25.193 1.00 0.00 C ATOM 1535 C ALA A 96 -7.993 9.724 25.907 1.00 0.00 C ATOM 1536 O ALA A 96 -8.445 10.210 26.943 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.625 9.922 25.995 1.00 0.00 C ATOM 0 H ALA A 96 -6.533 12.273 25.921 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.771 10.068 24.147 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.549 8.835 25.978 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.728 10.355 25.553 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.722 10.263 27.026 1.00 0.00 H new ATOM 1543 N THR A 97 -8.439 8.574 25.365 1.00 0.00 N ATOM 1544 CA THR A 97 -9.292 7.669 26.076 1.00 0.00 C ATOM 1545 C THR A 97 -8.538 6.381 26.048 1.00 0.00 C ATOM 1546 O THR A 97 -8.388 5.766 24.993 1.00 0.00 O ATOM 1547 CB THR A 97 -10.653 7.485 25.452 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.269 8.752 25.271 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.537 6.622 26.373 1.00 0.00 C ATOM 0 H THR A 97 -8.204 8.268 24.421 1.00 0.00 H new ATOM 0 HA THR A 97 -9.505 8.049 27.075 1.00 0.00 H new ATOM 0 HB THR A 97 -10.538 6.990 24.488 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.152 8.631 24.864 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.519 6.492 25.918 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.071 5.647 26.515 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.647 7.116 27.339 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.031 5.960 27.225 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.197 4.796 27.325 1.00 0.00 C ATOM 1559 C ALA A 98 -8.046 3.567 27.410 1.00 0.00 C ATOM 1560 O ALA A 98 -9.202 3.611 27.828 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.302 4.818 28.570 1.00 0.00 C ATOM 0 H ALA A 98 -8.200 6.430 28.114 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.568 4.792 26.435 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.693 3.915 28.596 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.653 5.693 28.536 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.924 4.862 29.464 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.457 2.426 27.007 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.154 1.178 26.991 1.00 0.00 C ATOM 1569 C GLY A 99 -7.120 0.104 26.956 1.00 0.00 C ATOM 1570 O GLY A 99 -5.923 0.377 26.873 1.00 0.00 O ATOM 0 H GLY A 99 -6.489 2.369 26.690 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.786 1.077 27.874 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.808 1.112 26.122 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.581 -1.157 27.019 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.721 -2.296 26.900 1.00 0.00 C ATOM 1576 C PHE A 100 -7.632 -3.308 26.291 1.00 0.00 C ATOM 1577 O PHE A 100 -8.364 -4.001 26.995 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.174 -2.786 28.259 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.013 -3.719 28.102 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.767 -3.218 27.787 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.123 -5.069 28.374 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.647 -4.012 27.779 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.004 -5.883 28.351 1.00 0.00 C ATOM 1584 CZ PHE A 100 -2.760 -5.357 28.063 1.00 0.00 C ATOM 0 H PHE A 100 -8.564 -1.391 27.154 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.823 -2.086 26.319 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.868 -1.927 28.856 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.970 -3.289 28.808 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.670 -2.171 27.540 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.089 -5.492 28.606 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.681 -3.585 27.551 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.104 -6.938 28.560 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.886 -5.991 28.060 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.641 -3.372 24.944 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.651 -4.122 24.255 1.00 0.00 C ATOM 1596 C ARG A 101 -8.054 -4.699 23.022 1.00 0.00 C ATOM 1597 O ARG A 101 -6.934 -4.366 22.637 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.919 -3.312 23.887 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.676 -1.960 23.197 1.00 0.00 C ATOM 1600 CD ARG A 101 -10.993 -1.314 22.735 1.00 0.00 C ATOM 1601 NE ARG A 101 -10.784 0.158 22.560 1.00 0.00 N ATOM 1602 CZ ARG A 101 -10.938 1.043 23.591 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -11.278 0.613 24.841 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -10.747 2.377 23.370 1.00 0.00 N ATOM 0 H ARG A 101 -6.960 -2.912 24.339 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.989 -4.895 24.945 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.541 -3.924 23.234 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.491 -3.135 24.798 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.162 -1.288 23.884 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.019 -2.102 22.339 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.322 -1.761 21.797 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.779 -1.497 23.468 1.00 0.00 H new ATOM 0 HE ARG A 101 -10.518 0.513 21.641 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.421 -0.381 25.017 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -11.389 1.286 25.599 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -10.491 2.708 22.440 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -10.860 3.042 24.135 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.827 -5.612 22.400 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.421 -6.355 21.248 1.00 0.00 C ATOM 1620 C ASN A 102 -8.383 -5.476 20.051 1.00 0.00 C ATOM 1621 O ASN A 102 -9.202 -4.572 19.898 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.420 -7.466 20.881 1.00 0.00 C ATOM 1623 CG ASN A 102 -9.453 -8.547 21.962 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -8.494 -8.752 22.714 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -10.609 -9.279 21.999 1.00 0.00 N ATOM 0 H ASN A 102 -9.771 -5.840 22.713 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.447 -6.773 21.504 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.415 -7.039 20.757 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -9.142 -7.910 19.925 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.710 -10.038 22.672 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.369 -9.065 21.353 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.410 -5.767 19.165 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.298 -5.108 17.898 1.00 0.00 C ATOM 1634 C VAL A 103 -7.851 -6.074 16.902 1.00 0.00 C ATOM 1635 O VAL A 103 -7.583 -7.271 16.987 1.00 0.00 O ATOM 1636 CB VAL A 103 -5.878 -4.705 17.532 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.404 -3.654 18.554 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -4.918 -5.912 17.492 1.00 0.00 C ATOM 0 H VAL A 103 -6.690 -6.470 19.331 1.00 0.00 H new ATOM 0 HA VAL A 103 -7.842 -4.164 17.924 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.874 -4.286 16.526 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.386 -3.347 18.314 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.063 -2.787 18.516 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.427 -4.084 19.555 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.917 -5.572 17.226 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.891 -6.388 18.472 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.267 -6.630 16.749 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.642 -5.570 15.931 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.095 -6.380 14.836 1.00 0.00 C ATOM 1650 C VAL A 104 -8.231 -5.969 13.690 1.00 0.00 C ATOM 1651 O VAL A 104 -8.590 -5.066 12.939 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.556 -6.166 14.473 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -10.952 -7.007 13.243 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.413 -6.609 15.663 1.00 0.00 C ATOM 0 H VAL A 104 -8.967 -4.604 15.904 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.023 -7.436 15.098 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.712 -5.113 14.238 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.002 -6.834 13.007 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.336 -6.719 12.391 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.799 -8.064 13.460 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.467 -6.465 15.426 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.229 -7.663 15.872 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.154 -6.015 16.539 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.056 -6.612 13.537 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.169 -6.251 12.456 1.00 0.00 C ATOM 1666 C VAL A 105 -6.560 -7.140 11.320 1.00 0.00 C ATOM 1667 O VAL A 105 -6.736 -8.344 11.495 1.00 0.00 O ATOM 1668 CB VAL A 105 -4.681 -6.346 12.723 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.322 -5.247 13.735 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.226 -7.721 13.231 1.00 0.00 C ATOM 0 H VAL A 105 -6.721 -7.363 14.141 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.294 -5.186 12.263 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.156 -6.209 11.778 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.254 -5.286 13.951 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.572 -4.272 13.317 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.884 -5.402 14.656 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.149 -7.709 13.399 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.736 -7.950 14.166 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.469 -8.482 12.489 1.00 0.00 H new ATOM 1680 N ALA A 106 -6.719 -6.551 10.123 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.044 -7.312 8.954 1.00 0.00 C ATOM 1682 C ALA A 106 -5.752 -7.578 8.280 1.00 0.00 C ATOM 1683 O ALA A 106 -4.994 -6.645 8.012 1.00 0.00 O ATOM 1684 CB ALA A 106 -7.963 -6.577 7.976 1.00 0.00 C ATOM 0 H ALA A 106 -6.623 -5.548 9.962 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.582 -8.211 9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.165 -7.216 7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.901 -6.331 8.473 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.479 -5.660 7.641 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.482 -8.878 8.028 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.201 -9.310 7.556 1.00 0.00 C ATOM 1692 C CYS A 107 -4.275 -9.742 6.137 1.00 0.00 C ATOM 1693 O CYS A 107 -5.313 -10.186 5.646 1.00 0.00 O ATOM 1694 CB CYS A 107 -3.623 -10.493 8.350 1.00 0.00 C ATOM 1695 SG CYS A 107 -3.607 -10.179 10.136 1.00 0.00 S ATOM 0 H CYS A 107 -6.158 -9.632 8.153 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.552 -8.444 7.681 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.212 -11.387 8.146 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -2.607 -10.695 8.009 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.115 -9.630 5.464 1.00 0.00 N ATOM 1701 CA GLU A 108 -2.902 -10.143 4.150 1.00 0.00 C ATOM 1702 C GLU A 108 -1.516 -10.682 4.229 1.00 0.00 C ATOM 1703 O GLU A 108 -0.613 -9.998 4.704 1.00 0.00 O ATOM 1704 CB GLU A 108 -2.977 -9.050 3.066 1.00 0.00 C ATOM 1705 CG GLU A 108 -2.759 -9.552 1.637 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.182 -8.431 0.698 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.664 -7.294 0.859 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.037 -8.696 -0.188 1.00 0.00 O ATOM 0 H GLU A 108 -2.295 -9.164 5.852 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.660 -10.874 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.953 -8.568 3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.231 -8.287 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.713 -9.815 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.346 -10.452 1.451 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.328 -11.949 3.790 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.078 -12.680 3.747 1.00 0.00 C ATOM 1717 C ASN A 109 0.495 -13.035 5.096 1.00 0.00 C ATOM 1718 O ASN A 109 1.644 -13.467 5.185 1.00 0.00 O ATOM 1719 CB ASN A 109 1.008 -12.134 2.766 1.00 0.00 C ATOM 1720 CG ASN A 109 1.788 -10.879 3.204 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.667 -10.912 4.072 1.00 0.00 O ATOM 1722 ND2 ASN A 109 1.466 -9.738 2.519 1.00 0.00 N ATOM 0 H ASN A 109 -2.106 -12.507 3.438 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.400 -13.619 3.297 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.728 -12.931 2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.524 -11.915 1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.960 -8.868 2.717 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.733 -9.758 1.810 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.302 -12.883 6.178 1.00 0.00 N ATOM 1730 CA GLY A 110 0.120 -13.210 7.508 1.00 0.00 C ATOM 1731 C GLY A 110 0.742 -12.018 8.171 1.00 0.00 C ATOM 1732 O GLY A 110 1.367 -12.165 9.220 1.00 0.00 O ATOM 0 H GLY A 110 -1.256 -12.526 6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.734 -13.554 8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.836 -14.031 7.477 1.00 0.00 H new ATOM 1736 N LEU A 111 0.574 -10.812 7.583 1.00 0.00 N ATOM 1737 CA LEU A 111 1.092 -9.609 8.180 1.00 0.00 C ATOM 1738 C LEU A 111 -0.044 -8.643 8.061 1.00 0.00 C ATOM 1739 O LEU A 111 -0.751 -8.732 7.064 1.00 0.00 O ATOM 1740 CB LEU A 111 2.376 -9.170 7.445 1.00 0.00 C ATOM 1741 CG LEU A 111 2.949 -7.758 7.568 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.942 -7.729 8.736 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.703 -7.369 6.287 1.00 0.00 C ATOM 0 H LEU A 111 0.083 -10.670 6.700 1.00 0.00 H new ATOM 0 HA LEU A 111 1.400 -9.710 9.221 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.164 -9.855 7.757 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.203 -9.345 6.383 1.00 0.00 H new ATOM 0 HG LEU A 111 2.129 -7.058 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.358 -6.727 8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.428 -8.001 9.658 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.747 -8.439 8.547 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.104 -6.361 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 111 4.521 -8.069 6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 111 3.019 -7.400 5.439 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.289 -7.734 8.992 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.431 -6.864 8.921 1.00 0.00 C ATOM 1757 C PRO A 112 -1.284 -5.888 7.793 1.00 0.00 C ATOM 1758 O PRO A 112 -0.169 -5.539 7.421 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.417 -6.126 10.247 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.839 -7.140 11.227 1.00 0.00 C ATOM 1761 CD PRO A 112 0.159 -7.908 10.364 1.00 0.00 C ATOM 0 HA PRO A 112 -2.358 -7.411 8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -0.804 -5.226 10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.419 -5.814 10.541 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.353 -6.654 12.073 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.610 -7.794 11.635 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.170 -7.522 10.497 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.182 -8.963 10.637 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.410 -5.444 7.216 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.382 -4.388 6.250 1.00 0.00 C ATOM 1771 C VAL A 113 -3.322 -3.319 6.707 1.00 0.00 C ATOM 1772 O VAL A 113 -3.295 -2.209 6.177 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.714 -4.822 4.832 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.528 -5.652 4.299 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.039 -5.611 4.772 1.00 0.00 C ATOM 0 H VAL A 113 -3.340 -5.813 7.415 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.356 -4.023 6.194 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.862 -3.945 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.740 -5.977 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.625 -5.041 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.380 -6.525 4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.242 -5.904 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.960 -6.503 5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.852 -4.985 5.138 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.194 -3.633 7.693 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.269 -2.742 8.015 1.00 0.00 C ATOM 1787 C HIS A 114 -5.668 -3.082 9.409 1.00 0.00 C ATOM 1788 O HIS A 114 -5.136 -4.017 10.004 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.442 -2.958 7.023 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.806 -2.424 7.380 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -8.140 -1.109 7.210 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -8.910 -3.059 7.855 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.407 -0.950 7.566 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -9.898 -2.117 7.959 1.00 0.00 N ATOM 0 H HIS A 114 -4.155 -4.484 8.254 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.979 -1.694 7.939 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.154 -2.514 6.070 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.541 -4.031 6.858 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.992 -4.107 8.103 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.952 -0.018 7.540 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.850 -2.285 8.284 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.604 -2.288 9.961 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.126 -2.458 11.278 1.00 0.00 C ATOM 1805 C LEU A 115 -8.426 -1.754 11.213 1.00 0.00 C ATOM 1806 O LEU A 115 -8.511 -0.610 10.767 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.160 -1.851 12.304 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.555 -1.499 13.760 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -7.027 -0.043 13.841 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.382 -2.563 14.497 1.00 0.00 C ATOM 0 H LEU A 115 -7.013 -1.495 9.467 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.248 -3.495 11.590 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.318 -2.540 12.375 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.782 -0.930 11.860 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.658 -1.544 14.378 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.302 0.194 14.869 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.223 0.619 13.519 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.892 0.096 13.193 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.604 -2.217 15.506 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.314 -2.736 13.959 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.815 -3.493 14.549 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.470 -2.477 11.647 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.815 -2.016 11.614 1.00 0.00 C ATOM 1824 C ASP A 116 -11.019 -1.059 12.738 1.00 0.00 C ATOM 1825 O ASP A 116 -10.584 -1.284 13.866 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.817 -3.164 11.773 1.00 0.00 C ATOM 1827 CG ASP A 116 -11.758 -4.036 10.525 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -10.777 -4.811 10.374 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -12.705 -3.936 9.701 1.00 0.00 O ATOM 0 H ASP A 116 -9.372 -3.416 12.034 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.985 -1.543 10.647 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.579 -3.754 12.658 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.824 -2.771 11.913 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.724 0.046 12.419 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.991 1.114 13.335 1.00 0.00 C ATOM 1836 C GLN A 117 -13.439 0.981 13.729 1.00 0.00 C ATOM 1837 O GLN A 117 -14.156 1.978 13.788 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.913 2.506 12.659 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.630 2.817 11.865 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.400 2.871 12.769 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.329 2.388 12.382 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.558 3.488 13.977 1.00 0.00 N ATOM 0 H GLN A 117 -12.121 0.200 11.492 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.268 1.050 14.148 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.763 2.605 11.984 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.028 3.267 13.431 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.484 2.056 11.098 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.744 3.771 11.350 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.467 3.867 14.241 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.767 3.569 14.615 1.00 0.00 H new ATOM 1851 N SER A 118 -13.920 -0.257 13.985 1.00 0.00 N ATOM 1852 CA SER A 118 -15.311 -0.504 14.257 1.00 0.00 C ATOM 1853 C SER A 118 -15.470 -0.427 15.733 1.00 0.00 C ATOM 1854 O SER A 118 -16.491 0.021 16.252 1.00 0.00 O ATOM 1855 CB SER A 118 -15.768 -1.899 13.807 1.00 0.00 C ATOM 1856 OG SER A 118 -15.598 -2.034 12.404 1.00 0.00 O ATOM 0 H SER A 118 -13.338 -1.095 14.003 1.00 0.00 H new ATOM 0 HA SER A 118 -15.910 0.226 13.713 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.193 -2.665 14.327 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.814 -2.051 14.072 1.00 0.00 H new ATOM 0 HG SER A 118 -15.890 -2.927 12.124 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.404 -0.869 16.422 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.238 -0.765 17.836 1.00 0.00 C ATOM 1864 C ILE A 119 -13.828 0.604 18.204 1.00 0.00 C ATOM 1865 O ILE A 119 -14.099 1.060 19.313 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.166 -1.679 18.383 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.116 -2.099 17.324 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.908 -2.836 19.037 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -11.096 -3.118 17.835 1.00 0.00 C ATOM 0 H ILE A 119 -13.614 -1.325 15.965 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.204 -1.042 18.257 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.545 -1.169 19.120 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.632 -2.518 16.460 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.587 -1.211 16.979 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.188 -3.539 19.456 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.548 -2.455 19.833 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.520 -3.344 18.291 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -10.395 -3.362 17.037 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -10.552 -2.696 18.680 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -11.614 -4.023 18.153 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.116 1.272 17.277 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.461 2.514 17.534 1.00 0.00 C ATOM 1883 C PHE A 120 -13.205 3.569 16.789 1.00 0.00 C ATOM 1884 O PHE A 120 -12.624 4.546 16.320 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.020 2.495 17.017 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.232 1.333 17.554 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.434 0.758 18.807 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.230 0.809 16.755 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.620 -0.262 19.254 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.441 -0.219 17.206 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.610 -0.751 18.460 1.00 0.00 C ATOM 0 H PHE A 120 -12.994 0.936 16.322 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.443 2.698 18.608 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.029 2.452 15.928 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.525 3.425 17.295 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.237 1.115 19.435 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.068 1.213 15.767 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.778 -0.680 20.237 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.672 -0.618 16.561 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.962 -1.538 18.816 1.00 0.00 H new ATOM 1901 N ARG A 121 -14.530 3.360 16.675 1.00 0.00 N ATOM 1902 CA ARG A 121 -15.425 4.301 16.061 1.00 0.00 C ATOM 1903 C ARG A 121 -15.803 5.249 17.146 1.00 0.00 C ATOM 1904 O ARG A 121 -15.814 6.466 16.962 1.00 0.00 O ATOM 1905 CB ARG A 121 -16.697 3.639 15.482 1.00 0.00 C ATOM 1906 CG ARG A 121 -17.666 4.594 14.762 1.00 0.00 C ATOM 1907 CD ARG A 121 -17.048 5.297 13.546 1.00 0.00 C ATOM 1908 NE ARG A 121 -18.078 6.202 12.949 1.00 0.00 N ATOM 1909 CZ ARG A 121 -18.228 7.500 13.351 1.00 0.00 C ATOM 1910 NH1 ARG A 121 -17.450 8.023 14.343 1.00 0.00 N ATOM 1911 NH2 ARG A 121 -19.175 8.282 12.754 1.00 0.00 N ATOM 0 H ARG A 121 -14.993 2.518 17.017 1.00 0.00 H new ATOM 0 HA ARG A 121 -14.935 4.784 15.216 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -16.395 2.859 14.783 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -17.233 3.148 16.294 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.543 4.033 14.439 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.012 5.348 15.469 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -16.169 5.868 13.845 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -16.717 4.563 12.811 1.00 0.00 H new ATOM 0 HE ARG A 121 -18.689 5.839 12.217 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -16.744 7.443 14.796 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -17.575 8.994 14.631 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -19.763 7.896 12.015 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -19.294 9.252 13.047 1.00 0.00 H new ATOM 1925 N ARG A 122 -16.112 4.664 18.313 1.00 0.00 N ATOM 1926 CA ARG A 122 -16.322 5.366 19.538 1.00 0.00 C ATOM 1927 C ARG A 122 -15.282 4.755 20.425 1.00 0.00 C ATOM 1928 O ARG A 122 -15.018 3.568 20.250 1.00 0.00 O ATOM 1929 CB ARG A 122 -17.742 5.208 20.149 1.00 0.00 C ATOM 1930 CG ARG A 122 -18.288 3.778 20.377 1.00 0.00 C ATOM 1931 CD ARG A 122 -18.698 3.027 19.102 1.00 0.00 C ATOM 1932 NE ARG A 122 -19.348 1.746 19.492 1.00 0.00 N ATOM 1933 CZ ARG A 122 -19.708 0.844 18.532 1.00 0.00 C ATOM 1934 NH1 ARG A 122 -19.488 1.117 17.213 1.00 0.00 N ATOM 1935 NH2 ARG A 122 -20.295 -0.334 18.893 1.00 0.00 N ATOM 0 H ARG A 122 -16.221 3.654 18.408 1.00 0.00 H new ATOM 0 HA ARG A 122 -16.244 6.445 19.401 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -17.750 5.724 21.109 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -18.443 5.732 19.500 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -17.528 3.194 20.896 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -19.152 3.837 21.039 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -19.383 3.634 18.510 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -17.824 2.833 18.480 1.00 0.00 H new ATOM 0 HE ARG A 122 -19.524 1.542 20.476 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -19.053 1.998 16.940 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -19.759 0.440 16.500 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -20.464 -0.539 19.878 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -20.565 -1.009 18.178 1.00 0.00 H new ATOM 1949 N PRO A 123 -14.644 5.449 21.343 1.00 0.00 N ATOM 1950 CA PRO A 123 -13.621 4.856 22.152 1.00 0.00 C ATOM 1951 C PRO A 123 -14.345 3.948 23.110 1.00 0.00 C ATOM 1952 O PRO A 123 -15.191 4.446 23.901 1.00 0.00 O ATOM 1953 CB PRO A 123 -12.944 6.034 22.852 1.00 0.00 C ATOM 1954 CG PRO A 123 -13.968 7.174 22.815 1.00 0.00 C ATOM 1955 CD PRO A 123 -14.781 6.879 21.554 1.00 0.00 C ATOM 1956 OXT PRO A 123 -14.068 2.717 23.074 1.00 0.00 O ATOM 0 HA PRO A 123 -12.868 4.274 21.621 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -12.676 5.780 23.878 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -12.023 6.317 22.343 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -14.596 7.179 23.706 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -13.483 8.149 22.761 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -15.826 7.160 21.684 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -14.403 7.442 20.700 1.00 0.00 H new TER 1964 PRO A 123