USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 806 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 99 GLN : amide:sc=-0.00345 X(o=-0.033,f=-0.026) USER MOD Set 1.2: A 102 GLN : amide:sc= -0.0296 X(o=-0.033,f=-0.21) USER MOD Set 2.1: A 95 ASN : amide:sc= -0.121 X(o=-0.44,f=-0.38) USER MOD Set 2.2: A 98 SER OG : rot 180:sc= -0.314 USER MOD Set 3.1: A 88 HIS : no HD1:sc= -4.36 K(o=-6.8,f=-2.7) USER MOD Set 3.2: A 89 ASN : amide:sc= -2.41 K(o=-6.8,f=-2.7) USER MOD Set 4.1: A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 72 ASN : amide:sc= -0.161 K(o=-0.16,f=1.1) USER MOD Set 5.1: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 47 HIS : no HE2:sc= -2.68 K(o=-2.7,f=-5.7!) USER MOD Set 6.1: A 22 ASN : amide:sc= -0.0594 X(o=-0.059,f=-0.03) USER MOD Set 6.2: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.147 USER MOD Single : A 12 TYR OH : rot -14:sc= 0.034 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 14 GLN : amide:sc= -4.71 K(o=-4.7,f=-4.2!) USER MOD Single : A 15 MET CE :methyl 148:sc= -6.63! (180deg=-9.19!) USER MOD Single : A 20 MET CE :methyl 163:sc= -2.23 (180deg=-4.41!) USER MOD Single : A 23 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-1.1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.0416 X(o=0.042,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00202 X(o=-0.002,f=0) USER MOD Single : A 53 MET CE :methyl 161:sc= -0.0882 (180deg=-0.527) USER MOD Single : A 54 GLN : amide:sc= -0.122 K(o=-0.12,f=-3.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.991 K(o=-0.99,f=-0.21) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= -5.8 (180deg=-5.8) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -136:sc= -5.37! (180deg=-10.8!) USER MOD Single : A 79 MET CE :methyl 160:sc= -6.17! (180deg=-6.52!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 84 MET CE :methyl -142:sc= -0.0256 (180deg=-2.98!) USER MOD Single : A 85 SER OG : rot -36:sc= 0.692 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl -151:sc= -0.967 (180deg=-2.44!) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 11.068 -3.876 10.115 1.00 0.00 N ATOM 2 CA PRO A 1 9.862 -4.746 10.273 1.00 0.00 C ATOM 3 C PRO A 1 9.599 -5.663 9.074 1.00 0.00 C ATOM 4 O PRO A 1 8.542 -5.636 8.465 1.00 0.00 O ATOM 5 CB PRO A 1 8.651 -3.875 10.636 1.00 0.00 C ATOM 6 CG PRO A 1 9.004 -2.493 10.108 1.00 0.00 C ATOM 7 CD PRO A 1 10.499 -2.538 9.824 1.00 0.00 C ATOM 0 H2 PRO A 1 11.668 -4.201 9.357 1.00 0.00 H new ATOM 0 H3 PRO A 1 11.636 -3.866 10.962 1.00 0.00 H new ATOM 0 HA PRO A 1 10.056 -5.438 11.092 1.00 0.00 H new ATOM 0 HB2 PRO A 1 7.738 -4.254 10.177 1.00 0.00 H new ATOM 0 HB3 PRO A 1 8.483 -3.858 11.713 1.00 0.00 H new ATOM 0 HG2 PRO A 1 8.439 -2.262 9.205 1.00 0.00 H new ATOM 0 HG3 PRO A 1 8.766 -1.721 10.839 1.00 0.00 H new ATOM 0 HD2 PRO A 1 10.680 -2.284 8.779 1.00 0.00 H new ATOM 0 HD3 PRO A 1 11.008 -1.786 10.427 1.00 0.00 H new ATOM 15 N TYR A 2 10.580 -6.488 8.731 1.00 0.00 N ATOM 16 CA TYR A 2 10.552 -7.339 7.541 1.00 0.00 C ATOM 17 C TYR A 2 11.066 -8.741 7.858 1.00 0.00 C ATOM 18 O TYR A 2 11.798 -9.328 7.062 1.00 0.00 O ATOM 19 CB TYR A 2 11.377 -6.664 6.432 1.00 0.00 C ATOM 20 CG TYR A 2 12.776 -6.237 6.863 1.00 0.00 C ATOM 21 CD1 TYR A 2 12.940 -5.110 7.691 1.00 0.00 C ATOM 22 CD2 TYR A 2 13.909 -6.972 6.463 1.00 0.00 C ATOM 23 CE1 TYR A 2 14.209 -4.727 8.152 1.00 0.00 C ATOM 24 CE2 TYR A 2 15.193 -6.571 6.885 1.00 0.00 C ATOM 25 CZ TYR A 2 15.340 -5.451 7.729 1.00 0.00 C ATOM 26 OH TYR A 2 16.570 -5.024 8.096 1.00 0.00 O ATOM 0 H TYR A 2 11.434 -6.589 9.280 1.00 0.00 H new ATOM 0 HA TYR A 2 9.525 -7.456 7.196 1.00 0.00 H new ATOM 0 HB2 TYR A 2 11.463 -7.351 5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 2 10.836 -5.788 6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 2 12.074 -4.530 7.976 1.00 0.00 H new ATOM 0 HD2 TYR A 2 13.794 -7.842 5.834 1.00 0.00 H new ATOM 0 HE1 TYR A 2 14.317 -3.887 8.823 1.00 0.00 H new ATOM 0 HE2 TYR A 2 16.064 -7.122 6.562 1.00 0.00 H new ATOM 0 HH TYR A 2 17.249 -5.628 7.728 1.00 0.00 H new ATOM 36 N GLY A 3 10.695 -9.264 9.034 1.00 0.00 N ATOM 37 CA GLY A 3 11.155 -10.559 9.515 1.00 0.00 C ATOM 38 C GLY A 3 12.634 -10.774 9.209 1.00 0.00 C ATOM 39 O GLY A 3 13.472 -9.917 9.504 1.00 0.00 O ATOM 0 H GLY A 3 10.062 -8.791 9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.991 -10.629 10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.567 -11.351 9.051 1.00 0.00 H new ATOM 43 N ARG A 4 12.954 -11.914 8.595 1.00 0.00 N ATOM 44 CA ARG A 4 14.309 -12.234 8.165 1.00 0.00 C ATOM 45 C ARG A 4 14.307 -12.971 6.835 1.00 0.00 C ATOM 46 O ARG A 4 14.205 -14.191 6.784 1.00 0.00 O ATOM 47 CB ARG A 4 14.989 -13.050 9.267 1.00 0.00 C ATOM 48 CG ARG A 4 16.508 -12.944 9.128 1.00 0.00 C ATOM 49 CD ARG A 4 17.181 -13.423 10.413 1.00 0.00 C ATOM 50 NE ARG A 4 18.532 -13.941 10.146 1.00 0.00 N ATOM 51 CZ ARG A 4 19.308 -14.554 11.021 1.00 0.00 C ATOM 52 NH1 ARG A 4 18.918 -14.734 12.256 1.00 0.00 N ATOM 53 NH2 ARG A 4 20.484 -14.999 10.667 1.00 0.00 N ATOM 0 H ARG A 4 12.273 -12.643 8.382 1.00 0.00 H new ATOM 0 HA ARG A 4 14.870 -11.314 8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 4 14.678 -12.686 10.246 1.00 0.00 H new ATOM 0 HB3 ARG A 4 14.681 -14.093 9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 4 16.848 -13.544 8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 4 16.792 -11.912 8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 4 17.239 -12.600 11.125 1.00 0.00 H new ATOM 0 HD3 ARG A 4 16.575 -14.202 10.875 1.00 0.00 H new ATOM 0 HE ARG A 4 18.901 -13.816 9.203 1.00 0.00 H new ATOM 0 HH11 ARG A 4 18.002 -14.399 12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 4 19.529 -15.210 12.920 1.00 0.00 H new ATOM 0 HH21 ARG A 4 20.809 -14.874 9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 4 21.077 -15.471 11.349 1.00 0.00 H new ATOM 67 N GLY A 5 14.434 -12.228 5.748 1.00 0.00 N ATOM 68 CA GLY A 5 14.451 -12.819 4.419 1.00 0.00 C ATOM 69 C GLY A 5 14.456 -11.742 3.356 1.00 0.00 C ATOM 70 O GLY A 5 14.381 -10.550 3.662 1.00 0.00 O ATOM 0 H GLY A 5 14.527 -11.212 5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 5 15.332 -13.451 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 5 13.580 -13.461 4.290 1.00 0.00 H new ATOM 74 N ARG A 6 14.565 -12.161 2.099 1.00 0.00 N ATOM 75 CA ARG A 6 14.546 -11.250 0.963 1.00 0.00 C ATOM 76 C ARG A 6 13.853 -11.889 -0.212 1.00 0.00 C ATOM 77 O ARG A 6 13.774 -13.107 -0.295 1.00 0.00 O ATOM 78 CB ARG A 6 15.984 -10.883 0.569 1.00 0.00 C ATOM 79 CG ARG A 6 16.159 -9.363 0.526 1.00 0.00 C ATOM 80 CD ARG A 6 17.455 -8.941 1.226 1.00 0.00 C ATOM 81 NE ARG A 6 17.355 -7.557 1.718 1.00 0.00 N ATOM 82 CZ ARG A 6 17.375 -6.471 0.967 1.00 0.00 C ATOM 83 NH1 ARG A 6 17.518 -6.544 -0.330 1.00 0.00 N ATOM 84 NH2 ARG A 6 17.241 -5.291 1.509 1.00 0.00 N ATOM 0 H ARG A 6 14.669 -13.142 1.841 1.00 0.00 H new ATOM 0 HA ARG A 6 14.002 -10.349 1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 6 16.684 -11.315 1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.220 -11.309 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 6 16.174 -9.024 -0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.308 -8.881 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.660 -9.614 2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 6 18.292 -9.026 0.533 1.00 0.00 H new ATOM 0 HE ARG A 6 17.262 -7.426 2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.617 -7.453 -0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.531 -5.692 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.120 -5.204 2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.257 -4.456 0.923 1.00 0.00 H new ATOM 98 N THR A 7 13.329 -11.043 -1.087 1.00 0.00 N ATOM 99 CA THR A 7 12.560 -11.491 -2.241 1.00 0.00 C ATOM 100 C THR A 7 12.929 -10.641 -3.440 1.00 0.00 C ATOM 101 O THR A 7 13.011 -9.415 -3.330 1.00 0.00 O ATOM 102 CB THR A 7 11.063 -11.436 -1.910 1.00 0.00 C ATOM 103 OG1 THR A 7 10.748 -10.227 -1.263 1.00 0.00 O ATOM 104 CG2 THR A 7 10.675 -12.504 -0.886 1.00 0.00 C ATOM 0 H THR A 7 13.424 -10.030 -1.018 1.00 0.00 H new ATOM 0 HA THR A 7 12.794 -12.526 -2.489 1.00 0.00 H new ATOM 0 HB THR A 7 10.545 -11.566 -2.860 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.790 -10.205 -1.059 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.608 -12.435 -0.675 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.903 -13.492 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.237 -12.347 0.034 1.00 0.00 H new ATOM 112 N GLU A 8 13.236 -11.297 -4.556 1.00 0.00 N ATOM 113 CA GLU A 8 13.582 -10.604 -5.791 1.00 0.00 C ATOM 114 C GLU A 8 12.352 -9.945 -6.411 1.00 0.00 C ATOM 115 O GLU A 8 11.247 -9.952 -5.856 1.00 0.00 O ATOM 116 CB GLU A 8 14.262 -11.581 -6.761 1.00 0.00 C ATOM 117 CG GLU A 8 15.641 -12.006 -6.241 1.00 0.00 C ATOM 118 CD GLU A 8 15.934 -13.462 -6.603 1.00 0.00 C ATOM 119 OE1 GLU A 8 15.930 -13.764 -7.815 1.00 0.00 O ATOM 120 OE2 GLU A 8 16.136 -14.251 -5.651 1.00 0.00 O ATOM 0 H GLU A 8 13.252 -12.314 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 8 14.288 -9.804 -5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.633 -12.461 -6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.368 -11.112 -7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.409 -11.360 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.681 -11.881 -5.159 1.00 0.00 H new ATOM 127 N SER A 9 12.553 -9.328 -7.571 1.00 0.00 N ATOM 128 CA SER A 9 11.478 -8.711 -8.323 1.00 0.00 C ATOM 129 C SER A 9 10.372 -9.721 -8.621 1.00 0.00 C ATOM 130 O SER A 9 10.560 -10.936 -8.627 1.00 0.00 O ATOM 131 CB SER A 9 11.996 -8.094 -9.631 1.00 0.00 C ATOM 132 OG SER A 9 13.417 -8.112 -9.712 1.00 0.00 O ATOM 0 H SER A 9 13.469 -9.244 -8.012 1.00 0.00 H new ATOM 0 HA SER A 9 11.065 -7.912 -7.708 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.579 -8.640 -10.477 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.643 -7.066 -9.710 1.00 0.00 H new ATOM 0 HG SER A 9 13.701 -7.712 -10.560 1.00 0.00 H new ATOM 138 N GLY A 10 9.179 -9.217 -8.901 1.00 0.00 N ATOM 139 CA GLY A 10 8.050 -10.087 -9.195 1.00 0.00 C ATOM 140 C GLY A 10 6.803 -9.463 -8.629 1.00 0.00 C ATOM 141 O GLY A 10 6.171 -8.688 -9.326 1.00 0.00 O ATOM 0 H GLY A 10 8.969 -8.219 -8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.949 -10.225 -10.272 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.210 -11.074 -8.761 1.00 0.00 H new ATOM 145 N CYS A 11 6.458 -9.748 -7.367 1.00 0.00 N ATOM 146 CA CYS A 11 5.253 -9.221 -6.715 1.00 0.00 C ATOM 147 C CYS A 11 5.048 -7.743 -6.988 1.00 0.00 C ATOM 148 O CYS A 11 4.244 -7.381 -7.825 1.00 0.00 O ATOM 149 CB CYS A 11 5.301 -9.470 -5.209 1.00 0.00 C ATOM 150 SG CYS A 11 4.826 -11.139 -4.704 1.00 0.00 S ATOM 0 H CYS A 11 7.013 -10.356 -6.765 1.00 0.00 H new ATOM 0 HA CYS A 11 4.405 -9.756 -7.143 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.312 -9.272 -4.854 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.643 -8.755 -4.715 1.00 0.00 H new ATOM 155 N TYR A 12 5.804 -6.894 -6.299 1.00 0.00 N ATOM 156 CA TYR A 12 5.836 -5.467 -6.572 1.00 0.00 C ATOM 157 C TYR A 12 5.790 -5.112 -8.055 1.00 0.00 C ATOM 158 O TYR A 12 5.034 -4.242 -8.435 1.00 0.00 O ATOM 159 CB TYR A 12 7.120 -4.918 -5.987 1.00 0.00 C ATOM 160 CG TYR A 12 7.473 -3.539 -6.484 1.00 0.00 C ATOM 161 CD1 TYR A 12 6.593 -2.457 -6.285 1.00 0.00 C ATOM 162 CD2 TYR A 12 8.664 -3.372 -7.216 1.00 0.00 C ATOM 163 CE1 TYR A 12 6.912 -1.207 -6.844 1.00 0.00 C ATOM 164 CE2 TYR A 12 8.998 -2.113 -7.725 1.00 0.00 C ATOM 165 CZ TYR A 12 8.108 -1.042 -7.591 1.00 0.00 C ATOM 166 OH TYR A 12 8.429 0.075 -8.284 1.00 0.00 O ATOM 0 H TYR A 12 6.413 -7.181 -5.533 1.00 0.00 H new ATOM 0 HA TYR A 12 4.942 -5.033 -6.125 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.031 -4.891 -4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.937 -5.600 -6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 12 5.687 -2.586 -5.712 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.318 -4.215 -7.384 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.245 -0.369 -6.705 1.00 0.00 H new ATOM 0 HE2 TYR A 12 9.945 -1.967 -8.223 1.00 0.00 H new ATOM 0 HH TYR A 12 7.635 0.642 -8.376 1.00 0.00 H new ATOM 176 N GLN A 13 6.570 -5.817 -8.868 1.00 0.00 N ATOM 177 CA GLN A 13 6.567 -5.618 -10.316 1.00 0.00 C ATOM 178 C GLN A 13 5.153 -5.644 -10.909 1.00 0.00 C ATOM 179 O GLN A 13 4.752 -4.760 -11.644 1.00 0.00 O ATOM 180 CB GLN A 13 7.415 -6.702 -10.998 1.00 0.00 C ATOM 181 CG GLN A 13 8.071 -6.178 -12.264 1.00 0.00 C ATOM 182 CD GLN A 13 9.556 -6.014 -12.023 1.00 0.00 C ATOM 183 OE1 GLN A 13 10.352 -6.929 -12.184 1.00 0.00 O ATOM 184 NE2 GLN A 13 9.960 -4.857 -11.556 1.00 0.00 N ATOM 0 H GLN A 13 7.217 -6.537 -8.547 1.00 0.00 H new ATOM 0 HA GLN A 13 6.990 -4.630 -10.500 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.182 -7.054 -10.308 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.787 -7.559 -11.240 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.898 -6.868 -13.090 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.629 -5.223 -12.549 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.291 -4.098 -11.424 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.943 -4.716 -11.325 1.00 0.00 H new ATOM 193 N GLN A 14 4.362 -6.660 -10.561 1.00 0.00 N ATOM 194 CA GLN A 14 2.959 -6.705 -10.990 1.00 0.00 C ATOM 195 C GLN A 14 2.044 -5.808 -10.146 1.00 0.00 C ATOM 196 O GLN A 14 0.916 -5.500 -10.517 1.00 0.00 O ATOM 197 CB GLN A 14 2.477 -8.153 -10.953 1.00 0.00 C ATOM 198 CG GLN A 14 2.061 -8.628 -9.550 1.00 0.00 C ATOM 199 CD GLN A 14 2.709 -9.925 -9.131 1.00 0.00 C ATOM 200 OE1 GLN A 14 2.171 -10.683 -8.365 1.00 0.00 O ATOM 201 NE2 GLN A 14 3.967 -10.119 -9.445 1.00 0.00 N ATOM 0 H GLN A 14 4.660 -7.452 -9.992 1.00 0.00 H new ATOM 0 HA GLN A 14 2.908 -6.314 -12.006 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.630 -8.263 -11.631 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.270 -8.801 -11.326 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.314 -7.855 -8.825 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.978 -8.748 -9.523 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.435 -9.485 -10.092 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.478 -10.904 -9.042 1.00 0.00 H new ATOM 210 N MET A 15 2.526 -5.419 -8.966 1.00 0.00 N ATOM 211 CA MET A 15 1.814 -4.577 -8.028 1.00 0.00 C ATOM 212 C MET A 15 1.788 -3.142 -8.511 1.00 0.00 C ATOM 213 O MET A 15 0.721 -2.550 -8.496 1.00 0.00 O ATOM 214 CB MET A 15 2.483 -4.589 -6.658 1.00 0.00 C ATOM 215 CG MET A 15 1.472 -4.288 -5.562 1.00 0.00 C ATOM 216 SD MET A 15 1.983 -2.922 -4.516 1.00 0.00 S ATOM 217 CE MET A 15 3.198 -3.816 -3.545 1.00 0.00 C ATOM 0 H MET A 15 3.451 -5.694 -8.634 1.00 0.00 H new ATOM 0 HA MET A 15 0.802 -4.974 -7.952 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.941 -5.562 -6.480 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.284 -3.851 -6.633 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.508 -4.055 -6.015 1.00 0.00 H new ATOM 0 HG3 MET A 15 1.329 -5.178 -4.949 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.003 -3.140 -3.258 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.724 -4.217 -2.649 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.606 -4.635 -4.137 1.00 0.00 H new ATOM 227 N GLU A 16 2.938 -2.588 -8.904 1.00 0.00 N ATOM 228 CA GLU A 16 3.041 -1.235 -9.445 1.00 0.00 C ATOM 229 C GLU A 16 2.095 -1.072 -10.632 1.00 0.00 C ATOM 230 O GLU A 16 1.388 -0.074 -10.755 1.00 0.00 O ATOM 231 CB GLU A 16 4.502 -0.913 -9.830 1.00 0.00 C ATOM 232 CG GLU A 16 4.857 -1.339 -11.267 1.00 0.00 C ATOM 233 CD GLU A 16 6.355 -1.243 -11.563 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.857 -0.098 -11.584 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.003 -2.308 -11.756 1.00 0.00 O ATOM 0 H GLU A 16 3.833 -3.074 -8.854 1.00 0.00 H new ATOM 0 HA GLU A 16 2.742 -0.521 -8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.672 0.158 -9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.174 -1.414 -9.133 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.525 -2.364 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.311 -0.712 -11.972 1.00 0.00 H new ATOM 242 N GLU A 17 2.031 -2.107 -11.478 1.00 0.00 N ATOM 243 CA GLU A 17 1.210 -2.089 -12.676 1.00 0.00 C ATOM 244 C GLU A 17 -0.269 -2.107 -12.307 1.00 0.00 C ATOM 245 O GLU A 17 -1.138 -1.649 -13.052 1.00 0.00 O ATOM 246 CB GLU A 17 1.532 -3.292 -13.570 1.00 0.00 C ATOM 247 CG GLU A 17 1.201 -2.969 -15.035 1.00 0.00 C ATOM 248 CD GLU A 17 2.378 -3.284 -15.966 1.00 0.00 C ATOM 249 OE1 GLU A 17 3.429 -2.625 -15.815 1.00 0.00 O ATOM 250 OE2 GLU A 17 2.203 -4.160 -16.846 1.00 0.00 O ATOM 0 H GLU A 17 2.549 -2.975 -11.344 1.00 0.00 H new ATOM 0 HA GLU A 17 1.431 -1.173 -13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.587 -3.552 -13.477 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.960 -4.160 -13.243 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.328 -3.543 -15.346 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.938 -1.915 -15.125 1.00 0.00 H new ATOM 257 N ALA A 18 -0.561 -2.603 -11.101 1.00 0.00 N ATOM 258 CA ALA A 18 -1.898 -2.646 -10.565 1.00 0.00 C ATOM 259 C ALA A 18 -1.975 -1.918 -9.229 1.00 0.00 C ATOM 260 O ALA A 18 -2.659 -2.401 -8.331 1.00 0.00 O ATOM 261 CB ALA A 18 -2.317 -4.110 -10.455 1.00 0.00 C ATOM 0 H ALA A 18 0.144 -2.988 -10.472 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.591 -2.128 -11.228 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.328 -4.170 -10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.293 -4.570 -11.443 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.630 -4.636 -9.793 1.00 0.00 H new ATOM 267 N GLU A 19 -1.305 -0.762 -9.101 1.00 0.00 N ATOM 268 CA GLU A 19 -1.164 0.013 -7.878 1.00 0.00 C ATOM 269 C GLU A 19 -2.476 0.003 -7.100 1.00 0.00 C ATOM 270 O GLU A 19 -3.418 0.780 -7.288 1.00 0.00 O ATOM 271 CB GLU A 19 -0.689 1.435 -8.176 1.00 0.00 C ATOM 272 CG GLU A 19 0.106 2.010 -6.989 1.00 0.00 C ATOM 273 CD GLU A 19 0.620 3.430 -7.290 1.00 0.00 C ATOM 274 OE1 GLU A 19 0.975 3.702 -8.454 1.00 0.00 O ATOM 275 OE2 GLU A 19 0.503 4.266 -6.360 1.00 0.00 O ATOM 0 H GLU A 19 -0.827 -0.329 -9.891 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.398 -0.450 -7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.065 1.434 -9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.548 2.073 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.527 2.031 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.949 1.357 -6.764 1.00 0.00 H new ATOM 282 N MET A 20 -2.621 -1.000 -6.249 1.00 0.00 N ATOM 283 CA MET A 20 -3.875 -1.225 -5.567 1.00 0.00 C ATOM 284 C MET A 20 -3.965 -0.301 -4.368 1.00 0.00 C ATOM 285 O MET A 20 -5.037 0.171 -3.966 1.00 0.00 O ATOM 286 CB MET A 20 -3.953 -2.668 -5.136 1.00 0.00 C ATOM 287 CG MET A 20 -2.799 -3.047 -4.221 1.00 0.00 C ATOM 288 SD MET A 20 -2.435 -4.795 -4.239 1.00 0.00 S ATOM 289 CE MET A 20 -1.656 -5.045 -2.623 1.00 0.00 C ATOM 0 H MET A 20 -1.885 -1.667 -6.018 1.00 0.00 H new ATOM 0 HA MET A 20 -4.710 -1.013 -6.234 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.898 -2.843 -4.621 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.946 -3.311 -6.016 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.909 -2.494 -4.521 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.036 -2.742 -3.202 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.656 -6.107 -2.380 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.629 -4.680 -2.653 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.213 -4.498 -1.862 1.00 0.00 H new ATOM 299 N LEU A 21 -2.796 0.027 -3.823 1.00 0.00 N ATOM 300 CA LEU A 21 -2.663 0.967 -2.740 1.00 0.00 C ATOM 301 C LEU A 21 -2.589 2.388 -3.258 1.00 0.00 C ATOM 302 O LEU A 21 -2.326 3.299 -2.489 1.00 0.00 O ATOM 303 CB LEU A 21 -1.481 0.571 -1.871 1.00 0.00 C ATOM 304 CG LEU A 21 -1.595 -0.867 -1.305 1.00 0.00 C ATOM 305 CD1 LEU A 21 -3.015 -1.400 -1.071 1.00 0.00 C ATOM 306 CD2 LEU A 21 -0.699 -1.845 -2.069 1.00 0.00 C ATOM 0 H LEU A 21 -1.907 -0.365 -4.134 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.551 0.937 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.565 0.653 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.395 1.275 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.214 -0.784 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.962 -2.414 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.532 -0.758 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.561 -1.407 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.805 -2.843 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.993 -1.864 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.340 -1.525 -1.989 1.00 0.00 H new ATOM 318 N ASN A 22 -2.944 2.596 -4.527 1.00 0.00 N ATOM 319 CA ASN A 22 -3.033 3.934 -5.086 1.00 0.00 C ATOM 320 C ASN A 22 -4.387 4.575 -4.771 1.00 0.00 C ATOM 321 O ASN A 22 -4.563 5.791 -4.777 1.00 0.00 O ATOM 322 CB ASN A 22 -2.820 3.846 -6.597 1.00 0.00 C ATOM 323 CG ASN A 22 -3.169 5.128 -7.297 1.00 0.00 C ATOM 324 OD1 ASN A 22 -4.020 5.146 -8.174 1.00 0.00 O ATOM 325 ND2 ASN A 22 -2.581 6.207 -6.843 1.00 0.00 N ATOM 0 H ASN A 22 -3.174 1.850 -5.183 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.264 4.564 -4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.779 3.595 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.428 3.037 -7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.828 7.121 -7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.877 6.133 -6.109 1.00 0.00 H new ATOM 332 N HIS A 23 -5.378 3.731 -4.480 1.00 0.00 N ATOM 333 CA HIS A 23 -6.735 4.185 -4.283 1.00 0.00 C ATOM 334 C HIS A 23 -6.969 4.197 -2.800 1.00 0.00 C ATOM 335 O HIS A 23 -7.233 5.254 -2.241 1.00 0.00 O ATOM 336 CB HIS A 23 -7.748 3.326 -5.043 1.00 0.00 C ATOM 337 CG HIS A 23 -7.337 2.954 -6.452 1.00 0.00 C ATOM 338 ND1 HIS A 23 -8.089 3.210 -7.579 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.196 2.307 -6.848 1.00 0.00 C ATOM 340 CE1 HIS A 23 -7.411 2.727 -8.639 1.00 0.00 C ATOM 341 NE2 HIS A 23 -6.249 2.188 -8.216 1.00 0.00 N ATOM 0 H HIS A 23 -5.254 2.724 -4.377 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.875 5.186 -4.692 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.923 2.411 -4.478 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.697 3.861 -5.086 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.403 1.956 -6.205 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.745 2.765 -9.665 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.534 1.766 -8.808 1.00 0.00 H new ATOM 350 N CYS A 24 -6.797 3.038 -2.149 1.00 0.00 N ATOM 351 CA CYS A 24 -6.916 2.972 -0.697 1.00 0.00 C ATOM 352 C CYS A 24 -5.961 3.940 -0.005 1.00 0.00 C ATOM 353 O CYS A 24 -6.177 4.259 1.147 1.00 0.00 O ATOM 354 CB CYS A 24 -6.634 1.555 -0.197 1.00 0.00 C ATOM 355 SG CYS A 24 -8.049 0.630 0.419 1.00 0.00 S ATOM 0 H CYS A 24 -6.579 2.150 -2.601 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.939 3.255 -0.450 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.183 0.988 -1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.892 1.615 0.599 1.00 0.00 H new ATOM 360 N GLY A 25 -4.939 4.420 -0.719 1.00 0.00 N ATOM 361 CA GLY A 25 -4.016 5.418 -0.248 1.00 0.00 C ATOM 362 C GLY A 25 -4.690 6.744 0.019 1.00 0.00 C ATOM 363 O GLY A 25 -4.692 7.156 1.162 1.00 0.00 O ATOM 0 H GLY A 25 -4.738 4.105 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.539 5.065 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.227 5.557 -0.987 1.00 0.00 H new ATOM 367 N MET A 26 -5.269 7.381 -1.009 1.00 0.00 N ATOM 368 CA MET A 26 -5.972 8.665 -0.870 1.00 0.00 C ATOM 369 C MET A 26 -6.866 8.731 0.357 1.00 0.00 C ATOM 370 O MET A 26 -6.785 9.684 1.102 1.00 0.00 O ATOM 371 CB MET A 26 -6.875 8.911 -2.074 1.00 0.00 C ATOM 372 CG MET A 26 -6.248 9.856 -3.082 1.00 0.00 C ATOM 373 SD MET A 26 -7.541 10.589 -4.102 1.00 0.00 S ATOM 374 CE MET A 26 -7.425 9.524 -5.547 1.00 0.00 C ATOM 0 H MET A 26 -5.263 7.019 -1.963 1.00 0.00 H new ATOM 0 HA MET A 26 -5.185 9.414 -0.784 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.096 7.960 -2.559 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.825 9.324 -1.734 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.690 10.637 -2.566 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.537 9.317 -3.708 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.160 9.836 -6.289 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.425 9.598 -5.974 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.619 8.492 -5.255 1.00 0.00 H new ATOM 384 N TYR A 27 -7.721 7.727 0.558 1.00 0.00 N ATOM 385 CA TYR A 27 -8.544 7.625 1.765 1.00 0.00 C ATOM 386 C TYR A 27 -7.777 7.892 3.065 1.00 0.00 C ATOM 387 O TYR A 27 -8.274 8.553 3.971 1.00 0.00 O ATOM 388 CB TYR A 27 -9.103 6.207 1.790 1.00 0.00 C ATOM 389 CG TYR A 27 -9.931 5.872 3.004 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.087 6.619 3.289 1.00 0.00 C ATOM 391 CD2 TYR A 27 -9.540 4.817 3.849 1.00 0.00 C ATOM 392 CE1 TYR A 27 -11.848 6.315 4.430 1.00 0.00 C ATOM 393 CE2 TYR A 27 -10.287 4.528 5.002 1.00 0.00 C ATOM 394 CZ TYR A 27 -11.443 5.275 5.289 1.00 0.00 C ATOM 395 OH TYR A 27 -12.142 4.991 6.412 1.00 0.00 O ATOM 0 H TYR A 27 -7.862 6.966 -0.106 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.319 8.390 1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.713 6.057 0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.273 5.504 1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.389 7.423 2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.666 4.230 3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -12.743 6.878 4.648 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.975 3.735 5.666 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.717 4.243 6.881 1.00 0.00 H new ATOM 405 N LEU A 28 -6.546 7.400 3.121 1.00 0.00 N ATOM 406 CA LEU A 28 -5.646 7.562 4.249 1.00 0.00 C ATOM 407 C LEU A 28 -4.759 8.792 4.049 1.00 0.00 C ATOM 408 O LEU A 28 -4.332 9.408 5.009 1.00 0.00 O ATOM 409 CB LEU A 28 -4.795 6.295 4.430 1.00 0.00 C ATOM 410 CG LEU A 28 -5.506 4.967 4.124 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.514 3.866 3.742 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.431 4.583 5.251 1.00 0.00 C ATOM 0 H LEU A 28 -6.137 6.861 2.358 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.235 7.713 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.918 6.373 3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.435 6.265 5.458 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.134 5.106 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.056 2.944 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.958 4.169 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.820 3.700 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.923 3.640 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.857 4.470 6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.183 5.361 5.386 1.00 0.00 H new ATOM 424 N MET A 29 -4.531 9.205 2.799 1.00 0.00 N ATOM 425 CA MET A 29 -3.791 10.389 2.394 1.00 0.00 C ATOM 426 C MET A 29 -4.662 11.637 2.317 1.00 0.00 C ATOM 427 O MET A 29 -4.210 12.699 1.898 1.00 0.00 O ATOM 428 CB MET A 29 -3.085 10.145 1.057 1.00 0.00 C ATOM 429 CG MET A 29 -1.591 10.399 1.192 1.00 0.00 C ATOM 430 SD MET A 29 -0.776 10.305 -0.414 1.00 0.00 S ATOM 431 CE MET A 29 -0.573 12.071 -0.720 1.00 0.00 C ATOM 0 H MET A 29 -4.884 8.683 1.997 1.00 0.00 H new ATOM 0 HA MET A 29 -3.047 10.575 3.169 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.258 9.120 0.729 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.504 10.799 0.293 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.423 11.382 1.633 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.153 9.667 1.870 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.080 12.219 -1.681 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.551 12.552 -0.736 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.035 12.510 0.071 1.00 0.00 H new ATOM 441 N LYS A 30 -5.910 11.523 2.769 1.00 0.00 N ATOM 442 CA LYS A 30 -6.868 12.614 2.740 1.00 0.00 C ATOM 443 C LYS A 30 -6.737 13.458 3.993 1.00 0.00 C ATOM 444 O LYS A 30 -7.167 14.608 4.021 1.00 0.00 O ATOM 445 CB LYS A 30 -8.295 12.066 2.584 1.00 0.00 C ATOM 446 CG LYS A 30 -8.952 12.635 1.315 1.00 0.00 C ATOM 447 CD LYS A 30 -10.460 12.835 1.512 1.00 0.00 C ATOM 448 CE LYS A 30 -10.793 14.330 1.576 1.00 0.00 C ATOM 449 NZ LYS A 30 -11.914 14.576 2.506 1.00 0.00 N ATOM 0 H LYS A 30 -6.282 10.661 3.168 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.657 13.250 1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.270 10.978 2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.890 12.329 3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.487 13.587 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.779 11.958 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.006 12.368 0.692 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.782 12.344 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.916 14.890 1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.053 14.693 0.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.124 15.594 2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.755 14.058 2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.653 14.249 3.458 1.00 0.00 H new ATOM 463 N ASN A 31 -6.102 12.894 5.020 1.00 0.00 N ATOM 464 CA ASN A 31 -5.782 13.567 6.266 1.00 0.00 C ATOM 465 C ASN A 31 -4.284 13.770 6.413 1.00 0.00 C ATOM 466 O ASN A 31 -3.855 14.545 7.262 1.00 0.00 O ATOM 467 CB ASN A 31 -6.282 12.732 7.445 1.00 0.00 C ATOM 468 CG ASN A 31 -7.776 12.496 7.371 1.00 0.00 C ATOM 469 OD1 ASN A 31 -8.282 11.658 6.644 1.00 0.00 O ATOM 470 ND2 ASN A 31 -8.521 13.277 8.115 1.00 0.00 N ATOM 0 H ASN A 31 -5.788 11.924 5.001 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.270 14.542 6.255 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.763 11.774 7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.040 13.239 8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.537 13.188 8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.085 13.974 8.719 1.00 0.00 H new ATOM 477 N LEU A 32 -3.492 13.099 5.573 1.00 0.00 N ATOM 478 CA LEU A 32 -2.050 13.263 5.580 1.00 0.00 C ATOM 479 C LEU A 32 -1.629 14.583 4.943 1.00 0.00 C ATOM 480 O LEU A 32 -0.525 15.062 5.195 1.00 0.00 O ATOM 481 CB LEU A 32 -1.395 12.077 4.862 1.00 0.00 C ATOM 482 CG LEU A 32 -1.521 10.784 5.665 1.00 0.00 C ATOM 483 CD1 LEU A 32 -1.094 9.611 4.790 1.00 0.00 C ATOM 484 CD2 LEU A 32 -0.670 10.888 6.936 1.00 0.00 C ATOM 0 H LEU A 32 -3.835 12.435 4.879 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.712 13.287 6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.858 11.944 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.341 12.295 4.688 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.555 10.621 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.181 8.684 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.736 9.561 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.059 9.749 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.759 9.966 7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.373 11.046 6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.018 11.726 7.540 1.00 0.00 H new ATOM 496 N GLY A 33 -2.518 15.173 4.142 1.00 0.00 N ATOM 497 CA GLY A 33 -2.288 16.434 3.462 1.00 0.00 C ATOM 498 C GLY A 33 -2.264 16.238 1.956 1.00 0.00 C ATOM 499 O GLY A 33 -1.452 15.479 1.436 1.00 0.00 O ATOM 0 H GLY A 33 -3.436 14.773 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.071 17.144 3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.342 16.863 3.793 1.00 0.00 H new ATOM 503 N GLU A 34 -3.147 16.950 1.261 1.00 0.00 N ATOM 504 CA GLU A 34 -3.240 16.886 -0.196 1.00 0.00 C ATOM 505 C GLU A 34 -3.710 18.232 -0.746 1.00 0.00 C ATOM 506 O GLU A 34 -4.713 18.350 -1.446 1.00 0.00 O ATOM 507 CB GLU A 34 -4.161 15.731 -0.613 1.00 0.00 C ATOM 508 CG GLU A 34 -3.771 15.222 -2.011 1.00 0.00 C ATOM 509 CD GLU A 34 -4.863 15.505 -3.047 1.00 0.00 C ATOM 510 OE1 GLU A 34 -6.017 15.082 -2.797 1.00 0.00 O ATOM 511 OE2 GLU A 34 -4.533 16.131 -4.082 1.00 0.00 O ATOM 0 H GLU A 34 -3.818 17.587 1.691 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.257 16.685 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.090 14.919 0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.198 16.066 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.841 15.697 -2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.581 14.150 -1.967 1.00 0.00 H new ATOM 518 N ARG A 35 -3.027 19.304 -0.329 1.00 0.00 N ATOM 519 CA ARG A 35 -3.371 20.651 -0.778 1.00 0.00 C ATOM 520 C ARG A 35 -3.427 20.688 -2.303 1.00 0.00 C ATOM 521 O ARG A 35 -2.445 20.369 -2.964 1.00 0.00 O ATOM 522 CB ARG A 35 -2.348 21.663 -0.257 1.00 0.00 C ATOM 523 CG ARG A 35 -3.062 22.804 0.464 1.00 0.00 C ATOM 524 CD ARG A 35 -2.039 23.728 1.125 1.00 0.00 C ATOM 525 NE ARG A 35 -2.580 25.090 1.294 1.00 0.00 N ATOM 526 CZ ARG A 35 -1.918 26.132 1.765 1.00 0.00 C ATOM 527 NH1 ARG A 35 -0.675 26.020 2.149 1.00 0.00 N ATOM 528 NH2 ARG A 35 -2.497 27.300 1.858 1.00 0.00 N ATOM 0 H ARG A 35 -2.237 19.262 0.315 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.350 20.918 -0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.652 21.172 0.423 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.760 22.057 -1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.670 23.368 -0.244 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.740 22.401 1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.755 23.324 2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.134 23.766 0.518 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.552 25.241 1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.201 25.119 2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.178 26.834 2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.468 27.413 1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.978 28.099 2.223 1.00 0.00 H new ATOM 542 N SER A 36 -4.559 21.120 -2.840 1.00 0.00 N ATOM 543 CA SER A 36 -4.746 21.231 -4.277 1.00 0.00 C ATOM 544 C SER A 36 -5.692 22.378 -4.584 1.00 0.00 C ATOM 545 O SER A 36 -6.410 22.878 -3.704 1.00 0.00 O ATOM 546 CB SER A 36 -5.274 19.904 -4.836 1.00 0.00 C ATOM 547 OG SER A 36 -5.070 19.864 -6.235 1.00 0.00 O ATOM 0 H SER A 36 -5.371 21.403 -2.292 1.00 0.00 H new ATOM 0 HA SER A 36 -3.791 21.443 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.762 19.068 -4.360 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.335 19.799 -4.610 1.00 0.00 H new ATOM 0 HG SER A 36 -5.406 19.015 -6.590 1.00 0.00 H new ATOM 553 N GLN A 37 -5.663 22.849 -5.824 1.00 0.00 N ATOM 554 CA GLN A 37 -6.524 23.929 -6.273 1.00 0.00 C ATOM 555 C GLN A 37 -6.663 23.894 -7.777 1.00 0.00 C ATOM 556 O GLN A 37 -5.808 24.386 -8.508 1.00 0.00 O ATOM 557 CB GLN A 37 -5.969 25.286 -5.803 1.00 0.00 C ATOM 558 CG GLN A 37 -6.970 25.986 -4.881 1.00 0.00 C ATOM 559 CD GLN A 37 -6.253 26.641 -3.721 1.00 0.00 C ATOM 560 OE1 GLN A 37 -5.892 27.803 -3.726 1.00 0.00 O ATOM 561 NE2 GLN A 37 -6.037 25.888 -2.665 1.00 0.00 N ATOM 0 H GLN A 37 -5.039 22.490 -6.547 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.514 23.797 -5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.025 25.137 -5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.758 25.917 -6.666 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.527 26.736 -5.442 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.695 25.264 -4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.340 24.914 -2.662 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.566 26.278 -1.848 1.00 0.00 H new ATOM 570 N VAL A 38 -7.743 23.287 -8.242 1.00 0.00 N ATOM 571 CA VAL A 38 -8.025 23.178 -9.669 1.00 0.00 C ATOM 572 C VAL A 38 -9.479 23.530 -9.915 1.00 0.00 C ATOM 573 O VAL A 38 -10.209 23.804 -8.969 1.00 0.00 O ATOM 574 CB VAL A 38 -7.613 21.779 -10.172 1.00 0.00 C ATOM 575 CG1 VAL A 38 -6.091 21.697 -10.328 1.00 0.00 C ATOM 576 CG2 VAL A 38 -8.112 20.658 -9.241 1.00 0.00 C ATOM 0 H VAL A 38 -8.449 22.856 -7.645 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.435 23.888 -10.249 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.085 21.632 -11.144 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.815 20.704 -10.684 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.758 22.446 -11.047 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.616 21.883 -9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.798 19.691 -9.635 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.691 20.798 -8.245 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.200 20.691 -9.183 1.00 0.00 H new ATOM 586 N SER A 39 -9.898 23.539 -11.185 1.00 0.00 N ATOM 587 CA SER A 39 -11.308 23.736 -11.551 1.00 0.00 C ATOM 588 C SER A 39 -12.260 22.933 -10.644 1.00 0.00 C ATOM 589 O SER A 39 -13.200 23.511 -10.094 1.00 0.00 O ATOM 590 CB SER A 39 -11.557 23.310 -13.009 1.00 0.00 C ATOM 591 OG SER A 39 -11.894 24.417 -13.806 1.00 0.00 O ATOM 0 H SER A 39 -9.276 23.411 -11.984 1.00 0.00 H new ATOM 0 HA SER A 39 -11.513 24.799 -11.426 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.665 22.828 -13.408 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.360 22.574 -13.045 1.00 0.00 H new ATOM 0 HG SER A 39 -12.046 24.122 -14.728 1.00 0.00 H new ATOM 597 N PRO A 40 -12.061 21.600 -10.528 1.00 0.00 N ATOM 598 CA PRO A 40 -12.824 20.757 -9.629 1.00 0.00 C ATOM 599 C PRO A 40 -12.484 20.990 -8.158 1.00 0.00 C ATOM 600 O PRO A 40 -11.852 21.961 -7.755 1.00 0.00 O ATOM 601 CB PRO A 40 -12.570 19.318 -10.105 1.00 0.00 C ATOM 602 CG PRO A 40 -11.269 19.351 -10.899 1.00 0.00 C ATOM 603 CD PRO A 40 -11.021 20.817 -11.194 1.00 0.00 C ATOM 0 HA PRO A 40 -13.888 20.992 -9.667 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.491 18.637 -9.258 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.394 18.962 -10.724 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.447 18.920 -10.327 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.354 18.773 -11.819 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -10.035 21.115 -10.838 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -11.040 20.997 -12.269 1.00 0.00 H new ATOM 611 N ARG A 41 -12.946 20.072 -7.316 1.00 0.00 N ATOM 612 CA ARG A 41 -12.644 20.111 -5.901 1.00 0.00 C ATOM 613 C ARG A 41 -12.808 18.745 -5.299 1.00 0.00 C ATOM 614 O ARG A 41 -11.840 18.175 -4.831 1.00 0.00 O ATOM 615 CB ARG A 41 -13.532 21.163 -5.222 1.00 0.00 C ATOM 616 CG ARG A 41 -12.840 21.725 -3.982 1.00 0.00 C ATOM 617 CD ARG A 41 -13.593 22.964 -3.492 1.00 0.00 C ATOM 618 NE ARG A 41 -12.704 24.136 -3.440 1.00 0.00 N ATOM 619 CZ ARG A 41 -13.043 25.352 -3.057 1.00 0.00 C ATOM 620 NH1 ARG A 41 -14.266 25.612 -2.677 1.00 0.00 N ATOM 621 NH2 ARG A 41 -12.167 26.321 -3.048 1.00 0.00 N ATOM 0 H ARG A 41 -13.535 19.288 -7.598 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.605 20.402 -5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.750 21.970 -5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.486 20.717 -4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.810 20.970 -3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.807 21.983 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.433 23.169 -4.156 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.008 22.774 -2.502 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.735 23.995 -3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.968 24.872 -2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.519 26.555 -2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.206 26.142 -3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.444 27.256 -2.749 1.00 0.00 H new ATOM 635 N MET A 42 -14.049 18.262 -5.301 1.00 0.00 N ATOM 636 CA MET A 42 -14.413 16.997 -4.681 1.00 0.00 C ATOM 637 C MET A 42 -15.606 16.398 -5.396 1.00 0.00 C ATOM 638 O MET A 42 -16.693 16.993 -5.386 1.00 0.00 O ATOM 639 CB MET A 42 -14.766 17.195 -3.200 1.00 0.00 C ATOM 640 CG MET A 42 -13.677 17.945 -2.445 1.00 0.00 C ATOM 641 SD MET A 42 -13.862 17.885 -0.654 1.00 0.00 S ATOM 642 CE MET A 42 -13.997 19.648 -0.316 1.00 0.00 C ATOM 0 H MET A 42 -14.834 18.745 -5.738 1.00 0.00 H new ATOM 0 HA MET A 42 -13.558 16.325 -4.755 1.00 0.00 H new ATOM 0 HB2 MET A 42 -15.704 17.744 -3.122 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.926 16.223 -2.733 1.00 0.00 H new ATOM 0 HG2 MET A 42 -12.707 17.527 -2.715 1.00 0.00 H new ATOM 0 HG3 MET A 42 -13.676 18.987 -2.766 1.00 0.00 H new ATOM 0 HE1 MET A 42 -14.119 19.805 0.756 1.00 0.00 H new ATOM 0 HE2 MET A 42 -13.094 20.154 -0.657 1.00 0.00 H new ATOM 0 HE3 MET A 42 -14.861 20.054 -0.842 1.00 0.00 H new ATOM 652 N ARG A 43 -15.399 15.261 -6.056 1.00 0.00 N ATOM 653 CA ARG A 43 -16.465 14.559 -6.766 1.00 0.00 C ATOM 654 C ARG A 43 -16.004 13.196 -7.245 1.00 0.00 C ATOM 655 O ARG A 43 -15.511 13.074 -8.360 1.00 0.00 O ATOM 656 CB ARG A 43 -16.950 15.398 -7.968 1.00 0.00 C ATOM 657 CG ARG A 43 -18.466 15.253 -8.139 1.00 0.00 C ATOM 658 CD ARG A 43 -19.115 16.631 -8.280 1.00 0.00 C ATOM 659 NE ARG A 43 -19.297 16.991 -9.696 1.00 0.00 N ATOM 660 CZ ARG A 43 -19.789 18.131 -10.146 1.00 0.00 C ATOM 661 NH1 ARG A 43 -20.160 19.076 -9.325 1.00 0.00 N ATOM 662 NH2 ARG A 43 -19.925 18.335 -11.429 1.00 0.00 N ATOM 0 H ARG A 43 -14.490 14.801 -6.114 1.00 0.00 H new ATOM 0 HA ARG A 43 -17.290 14.415 -6.069 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -16.693 16.446 -7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.442 15.073 -8.876 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -18.684 14.648 -9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -18.888 14.730 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -20.080 16.635 -7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -18.495 17.380 -7.788 1.00 0.00 H new ATOM 0 HE ARG A 43 -19.018 16.298 -10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -20.072 18.940 -8.318 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.538 19.950 -9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.650 17.611 -12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.306 19.219 -11.767 1.00 0.00 H new ATOM 676 N GLU A 44 -16.193 12.185 -6.416 1.00 0.00 N ATOM 677 CA GLU A 44 -15.762 10.825 -6.727 1.00 0.00 C ATOM 678 C GLU A 44 -16.127 9.887 -5.585 1.00 0.00 C ATOM 679 O GLU A 44 -16.577 10.325 -4.521 1.00 0.00 O ATOM 680 CB GLU A 44 -14.241 10.774 -6.987 1.00 0.00 C ATOM 681 CG GLU A 44 -13.410 11.548 -5.936 1.00 0.00 C ATOM 682 CD GLU A 44 -12.754 12.817 -6.515 1.00 0.00 C ATOM 683 OE1 GLU A 44 -12.154 12.718 -7.608 1.00 0.00 O ATOM 684 OE2 GLU A 44 -12.884 13.889 -5.864 1.00 0.00 O ATOM 0 H GLU A 44 -16.649 12.279 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.275 10.503 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.917 9.733 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.035 11.184 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.054 11.825 -5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.635 10.893 -5.537 1.00 0.00 H new ATOM 691 N GLU A 45 -15.917 8.597 -5.808 1.00 0.00 N ATOM 692 CA GLU A 45 -16.187 7.587 -4.812 1.00 0.00 C ATOM 693 C GLU A 45 -15.018 7.449 -3.840 1.00 0.00 C ATOM 694 O GLU A 45 -13.864 7.810 -4.114 1.00 0.00 O ATOM 695 CB GLU A 45 -16.530 6.256 -5.500 1.00 0.00 C ATOM 696 CG GLU A 45 -17.939 6.299 -6.116 1.00 0.00 C ATOM 697 CD GLU A 45 -17.890 6.587 -7.625 1.00 0.00 C ATOM 698 OE1 GLU A 45 -17.548 7.732 -7.999 1.00 0.00 O ATOM 699 OE2 GLU A 45 -18.148 5.630 -8.387 1.00 0.00 O ATOM 0 H GLU A 45 -15.554 8.228 -6.687 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.050 7.891 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.796 6.045 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.471 5.443 -4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.441 5.347 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.531 7.067 -5.618 1.00 0.00 H new ATOM 706 N ASP A 46 -15.316 6.881 -2.672 1.00 0.00 N ATOM 707 CA ASP A 46 -14.311 6.607 -1.670 1.00 0.00 C ATOM 708 C ASP A 46 -13.330 5.545 -2.178 1.00 0.00 C ATOM 709 O ASP A 46 -13.362 5.036 -3.303 1.00 0.00 O ATOM 710 CB ASP A 46 -14.974 6.111 -0.372 1.00 0.00 C ATOM 711 CG ASP A 46 -15.221 7.208 0.658 1.00 0.00 C ATOM 712 OD1 ASP A 46 -15.676 8.295 0.263 1.00 0.00 O ATOM 713 OD2 ASP A 46 -14.845 6.949 1.821 1.00 0.00 O ATOM 0 H ASP A 46 -16.260 6.602 -2.403 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.768 7.530 -1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.925 5.639 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.343 5.343 0.075 1.00 0.00 H new ATOM 718 N HIS A 47 -12.402 5.159 -1.306 1.00 0.00 N ATOM 719 CA HIS A 47 -11.368 4.217 -1.668 1.00 0.00 C ATOM 720 C HIS A 47 -11.348 3.122 -0.638 1.00 0.00 C ATOM 721 O HIS A 47 -11.061 3.374 0.524 1.00 0.00 O ATOM 722 CB HIS A 47 -10.017 4.901 -1.779 1.00 0.00 C ATOM 723 CG HIS A 47 -10.039 6.325 -2.313 1.00 0.00 C ATOM 724 ND1 HIS A 47 -10.814 7.347 -1.800 1.00 0.00 N ATOM 725 CD2 HIS A 47 -9.324 6.848 -3.353 1.00 0.00 C ATOM 726 CE1 HIS A 47 -10.627 8.444 -2.541 1.00 0.00 C ATOM 727 NE2 HIS A 47 -9.705 8.173 -3.481 1.00 0.00 N ATOM 0 H HIS A 47 -12.352 5.490 -0.343 1.00 0.00 H new ATOM 0 HA HIS A 47 -11.581 3.792 -2.649 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -9.553 4.910 -0.793 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -9.378 4.300 -2.426 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -11.428 7.276 -0.989 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -8.599 6.327 -3.960 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.132 9.389 -2.407 1.00 0.00 H new ATOM 736 N LYS A 48 -11.664 1.912 -1.090 1.00 0.00 N ATOM 737 CA LYS A 48 -11.736 0.723 -0.246 1.00 0.00 C ATOM 738 C LYS A 48 -12.095 -0.504 -1.061 1.00 0.00 C ATOM 739 O LYS A 48 -11.560 -1.581 -0.849 1.00 0.00 O ATOM 740 CB LYS A 48 -12.760 0.919 0.888 1.00 0.00 C ATOM 741 CG LYS A 48 -12.165 0.410 2.208 1.00 0.00 C ATOM 742 CD LYS A 48 -13.273 -0.086 3.144 1.00 0.00 C ATOM 743 CE LYS A 48 -13.158 -1.599 3.363 1.00 0.00 C ATOM 744 NZ LYS A 48 -14.166 -2.335 2.568 1.00 0.00 N ATOM 0 H LYS A 48 -11.881 1.727 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.750 0.570 0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.022 1.973 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.679 0.380 0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.462 -0.398 2.008 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.603 1.209 2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.207 0.431 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.248 0.152 2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.158 -1.934 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.289 -1.827 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.063 -3.356 2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.120 -2.031 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.024 -2.135 1.557 1.00 0.00 H new ATOM 758 N GLN A 49 -12.976 -0.320 -2.043 1.00 0.00 N ATOM 759 CA GLN A 49 -13.336 -1.388 -2.966 1.00 0.00 C ATOM 760 C GLN A 49 -12.398 -1.429 -4.162 1.00 0.00 C ATOM 761 O GLN A 49 -12.178 -2.490 -4.707 1.00 0.00 O ATOM 762 CB GLN A 49 -14.783 -1.214 -3.424 1.00 0.00 C ATOM 763 CG GLN A 49 -14.985 0.078 -4.235 1.00 0.00 C ATOM 764 CD GLN A 49 -16.303 0.056 -4.979 1.00 0.00 C ATOM 765 OE1 GLN A 49 -16.516 -0.755 -5.860 1.00 0.00 O ATOM 766 NE2 GLN A 49 -17.180 0.968 -4.643 1.00 0.00 N ATOM 0 H GLN A 49 -13.454 0.564 -2.218 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.240 -2.338 -2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.076 -2.071 -4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.439 -1.201 -2.553 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.956 0.939 -3.567 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.166 0.197 -4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.966 1.632 -3.899 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.077 1.015 -5.126 1.00 0.00 H new ATOM 775 N LEU A 50 -11.785 -0.293 -4.530 1.00 0.00 N ATOM 776 CA LEU A 50 -10.864 -0.223 -5.658 1.00 0.00 C ATOM 777 C LEU A 50 -9.529 -0.888 -5.307 1.00 0.00 C ATOM 778 O LEU A 50 -8.863 -1.463 -6.159 1.00 0.00 O ATOM 779 CB LEU A 50 -10.644 1.259 -6.014 1.00 0.00 C ATOM 780 CG LEU A 50 -11.732 1.846 -6.940 1.00 0.00 C ATOM 781 CD1 LEU A 50 -11.870 3.353 -6.697 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.388 1.577 -8.411 1.00 0.00 C ATOM 0 H LEU A 50 -11.918 0.597 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.287 -0.754 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.609 1.843 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.673 1.367 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.682 1.361 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.639 3.759 -7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.150 3.530 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.919 3.844 -6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.165 1.997 -9.049 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.431 2.040 -8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.323 0.502 -8.579 1.00 0.00 H new ATOM 794 N CYS A 51 -9.136 -0.802 -4.031 1.00 0.00 N ATOM 795 CA CYS A 51 -7.959 -1.505 -3.546 1.00 0.00 C ATOM 796 C CYS A 51 -8.286 -2.973 -3.366 1.00 0.00 C ATOM 797 O CYS A 51 -7.683 -3.779 -4.057 1.00 0.00 O ATOM 798 CB CYS A 51 -7.444 -0.887 -2.246 1.00 0.00 C ATOM 799 SG CYS A 51 -8.747 -0.540 -1.050 1.00 0.00 S ATOM 0 H CYS A 51 -9.620 -0.251 -3.322 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.161 -1.411 -4.283 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.718 -1.563 -1.794 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.917 0.039 -2.477 1.00 0.00 H new ATOM 804 N CYS A 52 -9.264 -3.319 -2.510 1.00 0.00 N ATOM 805 CA CYS A 52 -9.676 -4.716 -2.321 1.00 0.00 C ATOM 806 C CYS A 52 -9.970 -5.407 -3.660 1.00 0.00 C ATOM 807 O CYS A 52 -9.842 -6.620 -3.771 1.00 0.00 O ATOM 808 CB CYS A 52 -10.891 -4.811 -1.388 1.00 0.00 C ATOM 809 SG CYS A 52 -10.475 -5.145 0.355 1.00 0.00 S ATOM 0 H CYS A 52 -9.781 -2.649 -1.940 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.841 -5.238 -1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.450 -3.877 -1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.551 -5.600 -1.749 1.00 0.00 H new ATOM 814 N MET A 53 -10.299 -4.620 -4.693 1.00 0.00 N ATOM 815 CA MET A 53 -10.467 -5.091 -6.052 1.00 0.00 C ATOM 816 C MET A 53 -9.142 -5.564 -6.647 1.00 0.00 C ATOM 817 O MET A 53 -8.975 -6.739 -6.965 1.00 0.00 O ATOM 818 CB MET A 53 -11.077 -3.979 -6.924 1.00 0.00 C ATOM 819 CG MET A 53 -11.015 -4.314 -8.406 1.00 0.00 C ATOM 820 SD MET A 53 -11.751 -5.935 -8.719 1.00 0.00 S ATOM 821 CE MET A 53 -10.471 -6.640 -9.773 1.00 0.00 C ATOM 0 H MET A 53 -10.457 -3.617 -4.593 1.00 0.00 H new ATOM 0 HA MET A 53 -11.145 -5.944 -6.032 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.115 -3.819 -6.632 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.547 -3.044 -6.742 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.542 -3.552 -8.980 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.979 -4.307 -8.744 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.573 -7.725 -9.792 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.576 -6.248 -10.784 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.489 -6.374 -9.381 1.00 0.00 H new ATOM 831 N GLN A 54 -8.187 -4.641 -6.801 1.00 0.00 N ATOM 832 CA GLN A 54 -6.895 -4.987 -7.379 1.00 0.00 C ATOM 833 C GLN A 54 -6.130 -5.981 -6.516 1.00 0.00 C ATOM 834 O GLN A 54 -5.301 -6.734 -7.008 1.00 0.00 O ATOM 835 CB GLN A 54 -6.047 -3.732 -7.553 1.00 0.00 C ATOM 836 CG GLN A 54 -6.541 -2.868 -8.708 1.00 0.00 C ATOM 837 CD GLN A 54 -6.054 -3.371 -10.060 1.00 0.00 C ATOM 838 OE1 GLN A 54 -5.915 -4.553 -10.310 1.00 0.00 O ATOM 839 NE2 GLN A 54 -5.846 -2.461 -10.981 1.00 0.00 N ATOM 0 H GLN A 54 -8.287 -3.661 -6.535 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.091 -5.451 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.065 -3.151 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.010 -4.016 -7.730 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.631 -2.847 -8.702 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.202 -1.842 -8.562 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.966 -1.473 -10.758 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.564 -2.741 -11.920 1.00 0.00 H new ATOM 848 N LEU A 55 -6.413 -5.995 -5.214 1.00 0.00 N ATOM 849 CA LEU A 55 -5.807 -6.943 -4.307 1.00 0.00 C ATOM 850 C LEU A 55 -6.079 -8.366 -4.775 1.00 0.00 C ATOM 851 O LEU A 55 -5.178 -9.178 -4.888 1.00 0.00 O ATOM 852 CB LEU A 55 -6.364 -6.672 -2.911 1.00 0.00 C ATOM 853 CG LEU A 55 -5.595 -5.675 -2.023 1.00 0.00 C ATOM 854 CD1 LEU A 55 -4.374 -6.320 -1.358 1.00 0.00 C ATOM 855 CD2 LEU A 55 -5.151 -4.427 -2.726 1.00 0.00 C ATOM 0 H LEU A 55 -7.066 -5.350 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.723 -6.829 -4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.385 -6.307 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.420 -7.622 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.327 -5.384 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.862 -5.581 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.697 -7.152 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.693 -6.686 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.619 -3.784 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.489 -4.690 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.022 -3.898 -3.113 1.00 0.00 H new ATOM 867 N LYS A 56 -7.325 -8.657 -5.128 1.00 0.00 N ATOM 868 CA LYS A 56 -7.605 -9.964 -5.707 1.00 0.00 C ATOM 869 C LYS A 56 -6.921 -10.179 -7.057 1.00 0.00 C ATOM 870 O LYS A 56 -6.518 -11.297 -7.341 1.00 0.00 O ATOM 871 CB LYS A 56 -9.104 -10.120 -5.831 1.00 0.00 C ATOM 872 CG LYS A 56 -9.456 -11.516 -6.358 1.00 0.00 C ATOM 873 CD LYS A 56 -10.597 -12.114 -5.544 1.00 0.00 C ATOM 874 CE LYS A 56 -11.278 -13.236 -6.326 1.00 0.00 C ATOM 875 NZ LYS A 56 -10.874 -14.565 -5.815 1.00 0.00 N ATOM 0 H LYS A 56 -8.127 -8.035 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.195 -10.726 -5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.574 -9.962 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.500 -9.360 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.742 -11.455 -7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.582 -12.164 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.215 -12.501 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.324 -11.339 -5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.360 -13.129 -6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.020 -13.156 -7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.351 -15.308 -6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.844 -14.674 -5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.142 -14.648 -4.814 1.00 0.00 H new ATOM 889 N ASN A 57 -6.814 -9.134 -7.882 1.00 0.00 N ATOM 890 CA ASN A 57 -6.055 -9.199 -9.136 1.00 0.00 C ATOM 891 C ASN A 57 -4.601 -9.623 -8.888 1.00 0.00 C ATOM 892 O ASN A 57 -3.964 -10.191 -9.770 1.00 0.00 O ATOM 893 CB ASN A 57 -6.090 -7.836 -9.859 1.00 0.00 C ATOM 894 CG ASN A 57 -4.835 -7.562 -10.682 1.00 0.00 C ATOM 895 OD1 ASN A 57 -4.815 -7.738 -11.888 1.00 0.00 O ATOM 896 ND2 ASN A 57 -3.769 -7.145 -10.024 1.00 0.00 N ATOM 0 H ASN A 57 -7.246 -8.227 -7.703 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.526 -9.951 -9.769 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.961 -7.801 -10.513 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.214 -7.043 -9.121 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.900 -6.962 -10.525 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.815 -7.006 -9.015 1.00 0.00 H new ATOM 903 N LEU A 58 -4.076 -9.297 -7.708 1.00 0.00 N ATOM 904 CA LEU A 58 -2.736 -9.664 -7.335 1.00 0.00 C ATOM 905 C LEU A 58 -2.652 -11.161 -7.040 1.00 0.00 C ATOM 906 O LEU A 58 -3.580 -11.939 -7.257 1.00 0.00 O ATOM 907 CB LEU A 58 -2.278 -8.787 -6.147 1.00 0.00 C ATOM 908 CG LEU A 58 -1.355 -7.637 -6.507 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.700 -7.097 -5.241 1.00 0.00 C ATOM 910 CD2 LEU A 58 -0.253 -8.069 -7.443 1.00 0.00 C ATOM 0 H LEU A 58 -4.578 -8.771 -6.993 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.052 -9.479 -8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.162 -8.381 -5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.772 -9.423 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.963 -6.878 -7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.037 -6.271 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.470 -6.744 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.124 -7.889 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.384 -7.215 -7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.343 -8.848 -6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.689 -8.457 -8.364 1.00 0.00 H new ATOM 922 N ASP A 59 -1.492 -11.584 -6.559 1.00 0.00 N ATOM 923 CA ASP A 59 -1.261 -12.988 -6.297 1.00 0.00 C ATOM 924 C ASP A 59 -1.474 -13.222 -4.819 1.00 0.00 C ATOM 925 O ASP A 59 -0.958 -12.471 -4.003 1.00 0.00 O ATOM 926 CB ASP A 59 0.168 -13.379 -6.674 1.00 0.00 C ATOM 927 CG ASP A 59 0.627 -13.028 -8.091 1.00 0.00 C ATOM 928 OD1 ASP A 59 -0.090 -12.305 -8.815 1.00 0.00 O ATOM 929 OD2 ASP A 59 1.701 -13.583 -8.440 1.00 0.00 O ATOM 0 H ASP A 59 -0.703 -10.975 -6.345 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.946 -13.593 -6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.848 -12.902 -5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.273 -14.456 -6.540 1.00 0.00 H new ATOM 934 N GLU A 60 -2.109 -14.330 -4.443 1.00 0.00 N ATOM 935 CA GLU A 60 -2.284 -14.670 -3.026 1.00 0.00 C ATOM 936 C GLU A 60 -0.954 -14.802 -2.269 1.00 0.00 C ATOM 937 O GLU A 60 -0.899 -14.728 -1.045 1.00 0.00 O ATOM 938 CB GLU A 60 -3.086 -15.962 -2.903 1.00 0.00 C ATOM 939 CG GLU A 60 -4.342 -15.735 -2.061 1.00 0.00 C ATOM 940 CD GLU A 60 -5.247 -16.967 -2.115 1.00 0.00 C ATOM 941 OE1 GLU A 60 -4.826 -18.004 -1.556 1.00 0.00 O ATOM 942 OE2 GLU A 60 -6.339 -16.867 -2.723 1.00 0.00 O ATOM 0 H GLU A 60 -2.510 -15.006 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.825 -13.844 -2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.365 -16.319 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.470 -16.737 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.063 -15.525 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.882 -14.862 -2.429 1.00 0.00 H new ATOM 949 N LYS A 61 0.153 -14.910 -3.011 1.00 0.00 N ATOM 950 CA LYS A 61 1.514 -14.936 -2.474 1.00 0.00 C ATOM 951 C LYS A 61 2.209 -13.574 -2.525 1.00 0.00 C ATOM 952 O LYS A 61 3.351 -13.435 -2.087 1.00 0.00 O ATOM 953 CB LYS A 61 2.300 -16.013 -3.216 1.00 0.00 C ATOM 954 CG LYS A 61 2.784 -15.526 -4.593 1.00 0.00 C ATOM 955 CD LYS A 61 3.467 -16.661 -5.354 1.00 0.00 C ATOM 956 CE LYS A 61 3.226 -16.511 -6.857 1.00 0.00 C ATOM 957 NZ LYS A 61 3.711 -17.708 -7.574 1.00 0.00 N ATOM 0 H LYS A 61 0.124 -14.984 -4.028 1.00 0.00 H new ATOM 0 HA LYS A 61 1.467 -15.178 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.158 -16.314 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.674 -16.896 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.939 -15.151 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.478 -14.695 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.537 -16.654 -5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.082 -17.621 -5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.163 -16.369 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.739 -15.623 -7.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.542 -17.594 -8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.730 -17.826 -7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.203 -18.548 -7.230 1.00 0.00 H new ATOM 971 N CYS A 62 1.510 -12.569 -3.045 1.00 0.00 N ATOM 972 CA CYS A 62 1.918 -11.174 -3.076 1.00 0.00 C ATOM 973 C CYS A 62 1.135 -10.348 -2.056 1.00 0.00 C ATOM 974 O CYS A 62 1.381 -9.156 -1.879 1.00 0.00 O ATOM 975 CB CYS A 62 1.799 -10.639 -4.507 1.00 0.00 C ATOM 976 SG CYS A 62 3.004 -11.420 -5.616 1.00 0.00 S ATOM 0 H CYS A 62 0.598 -12.717 -3.477 1.00 0.00 H new ATOM 0 HA CYS A 62 2.964 -11.090 -2.781 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.791 -10.819 -4.880 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.951 -9.560 -4.506 1.00 0.00 H new ATOM 981 N MET A 63 0.255 -10.982 -1.289 1.00 0.00 N ATOM 982 CA MET A 63 -0.607 -10.277 -0.354 1.00 0.00 C ATOM 983 C MET A 63 0.002 -10.311 1.033 1.00 0.00 C ATOM 984 O MET A 63 -0.390 -11.079 1.892 1.00 0.00 O ATOM 985 CB MET A 63 -1.999 -10.906 -0.356 1.00 0.00 C ATOM 986 CG MET A 63 -2.467 -11.326 -1.724 1.00 0.00 C ATOM 987 SD MET A 63 -2.081 -10.089 -2.976 1.00 0.00 S ATOM 988 CE MET A 63 -3.479 -9.064 -2.719 1.00 0.00 C ATOM 0 H MET A 63 0.121 -11.993 -1.299 1.00 0.00 H new ATOM 0 HA MET A 63 -0.702 -9.235 -0.661 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.997 -11.776 0.301 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.711 -10.194 0.060 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.999 -12.273 -1.993 1.00 0.00 H new ATOM 0 HG3 MET A 63 -3.543 -11.497 -1.703 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.441 -8.218 -3.405 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.388 -9.637 -2.900 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.478 -8.699 -1.692 1.00 0.00 H new ATOM 998 N CYS A 64 1.050 -9.522 1.233 1.00 0.00 N ATOM 999 CA CYS A 64 1.847 -9.520 2.467 1.00 0.00 C ATOM 1000 C CYS A 64 3.215 -8.931 2.157 1.00 0.00 C ATOM 1001 O CYS A 64 3.555 -7.896 2.730 1.00 0.00 O ATOM 1002 CB CYS A 64 2.011 -10.918 3.143 1.00 0.00 C ATOM 1003 SG CYS A 64 3.653 -11.247 3.874 1.00 0.00 S ATOM 0 H CYS A 64 1.380 -8.854 0.537 1.00 0.00 H new ATOM 0 HA CYS A 64 1.300 -8.916 3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.258 -11.015 3.925 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.801 -11.688 2.401 1.00 0.00 H new ATOM 1008 N PRO A 65 3.986 -9.574 1.254 1.00 0.00 N ATOM 1009 CA PRO A 65 5.317 -9.112 0.918 1.00 0.00 C ATOM 1010 C PRO A 65 5.255 -7.876 0.033 1.00 0.00 C ATOM 1011 O PRO A 65 6.115 -7.000 0.094 1.00 0.00 O ATOM 1012 CB PRO A 65 5.989 -10.284 0.202 1.00 0.00 C ATOM 1013 CG PRO A 65 4.866 -11.214 -0.262 1.00 0.00 C ATOM 1014 CD PRO A 65 3.624 -10.762 0.481 1.00 0.00 C ATOM 0 HA PRO A 65 5.880 -8.816 1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.578 -9.934 -0.646 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.673 -10.806 0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.723 -11.147 -1.340 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.101 -12.254 -0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.820 -10.535 -0.218 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.261 -11.552 1.138 1.00 0.00 H new ATOM 1022 N ALA A 66 4.214 -7.790 -0.801 1.00 0.00 N ATOM 1023 CA ALA A 66 4.015 -6.652 -1.666 1.00 0.00 C ATOM 1024 C ALA A 66 3.645 -5.436 -0.839 1.00 0.00 C ATOM 1025 O ALA A 66 4.288 -4.410 -0.989 1.00 0.00 O ATOM 1026 CB ALA A 66 2.941 -6.972 -2.704 1.00 0.00 C ATOM 0 H ALA A 66 3.496 -8.510 -0.886 1.00 0.00 H new ATOM 0 HA ALA A 66 4.940 -6.428 -2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.795 -6.109 -3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.256 -7.828 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.005 -7.208 -2.198 1.00 0.00 H new ATOM 1032 N ILE A 67 2.659 -5.560 0.059 1.00 0.00 N ATOM 1033 CA ILE A 67 2.213 -4.470 0.935 1.00 0.00 C ATOM 1034 C ILE A 67 3.418 -3.708 1.489 1.00 0.00 C ATOM 1035 O ILE A 67 3.422 -2.492 1.540 1.00 0.00 O ATOM 1036 CB ILE A 67 1.347 -5.010 2.085 1.00 0.00 C ATOM 1037 CG1 ILE A 67 0.157 -5.851 1.538 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.915 -3.854 3.017 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.216 -5.248 1.822 1.00 0.00 C ATOM 0 H ILE A 67 2.144 -6.429 0.199 1.00 0.00 H new ATOM 0 HA ILE A 67 1.605 -3.785 0.344 1.00 0.00 H new ATOM 0 HB ILE A 67 1.937 -5.695 2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.274 -5.969 0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.201 -6.849 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.302 -4.249 3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.800 -3.372 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.338 -3.125 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.990 -5.895 1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.357 -5.156 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.283 -4.262 1.362 1.00 0.00 H new ATOM 1051 N MET A 68 4.476 -4.435 1.850 1.00 0.00 N ATOM 1052 CA MET A 68 5.728 -3.814 2.233 1.00 0.00 C ATOM 1053 C MET A 68 6.224 -2.818 1.184 1.00 0.00 C ATOM 1054 O MET A 68 6.176 -1.614 1.416 1.00 0.00 O ATOM 1055 CB MET A 68 6.770 -4.906 2.490 1.00 0.00 C ATOM 1056 CG MET A 68 7.614 -4.539 3.698 1.00 0.00 C ATOM 1057 SD MET A 68 9.379 -4.763 3.387 1.00 0.00 S ATOM 1058 CE MET A 68 9.985 -3.204 4.057 1.00 0.00 C ATOM 0 H MET A 68 4.483 -5.454 1.883 1.00 0.00 H new ATOM 0 HA MET A 68 5.564 -3.242 3.146 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.274 -5.862 2.658 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.407 -5.027 1.614 1.00 0.00 H new ATOM 0 HG2 MET A 68 7.423 -3.501 3.971 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.315 -5.152 4.548 1.00 0.00 H new ATOM 0 HE1 MET A 68 11.069 -3.160 3.952 1.00 0.00 H new ATOM 0 HE2 MET A 68 9.534 -2.374 3.513 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.719 -3.133 5.112 1.00 0.00 H new ATOM 1068 N MET A 69 6.658 -3.320 0.020 1.00 0.00 N ATOM 1069 CA MET A 69 7.160 -2.509 -1.076 1.00 0.00 C ATOM 1070 C MET A 69 6.180 -1.439 -1.521 1.00 0.00 C ATOM 1071 O MET A 69 6.573 -0.380 -1.991 1.00 0.00 O ATOM 1072 CB MET A 69 7.458 -3.396 -2.281 1.00 0.00 C ATOM 1073 CG MET A 69 8.650 -4.309 -2.018 1.00 0.00 C ATOM 1074 SD MET A 69 10.181 -3.384 -1.732 1.00 0.00 S ATOM 1075 CE MET A 69 10.434 -3.753 0.014 1.00 0.00 C ATOM 0 H MET A 69 6.666 -4.320 -0.181 1.00 0.00 H new ATOM 0 HA MET A 69 8.059 -2.018 -0.705 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.581 -3.999 -2.517 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.660 -2.773 -3.152 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.440 -4.935 -1.151 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.786 -4.977 -2.868 1.00 0.00 H new ATOM 0 HE1 MET A 69 11.341 -3.260 0.362 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.581 -3.393 0.589 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.533 -4.830 0.148 1.00 0.00 H new ATOM 1085 N MET A 70 4.888 -1.702 -1.341 1.00 0.00 N ATOM 1086 CA MET A 70 3.842 -0.742 -1.644 1.00 0.00 C ATOM 1087 C MET A 70 4.065 0.554 -0.891 1.00 0.00 C ATOM 1088 O MET A 70 3.917 1.630 -1.450 1.00 0.00 O ATOM 1089 CB MET A 70 2.495 -1.313 -1.247 1.00 0.00 C ATOM 1090 CG MET A 70 1.557 -0.351 -0.485 1.00 0.00 C ATOM 1091 SD MET A 70 0.909 -1.060 1.042 1.00 0.00 S ATOM 1092 CE MET A 70 -0.121 0.331 1.533 1.00 0.00 C ATOM 0 H MET A 70 4.541 -2.591 -0.980 1.00 0.00 H new ATOM 0 HA MET A 70 3.865 -0.540 -2.715 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.984 -1.650 -2.149 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.663 -2.194 -0.627 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.098 0.566 -0.252 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.725 -0.075 -1.133 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.008 0.521 2.598 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.170 1.217 0.968 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.167 0.099 1.330 1.00 0.00 H new ATOM 1102 N LEU A 71 4.455 0.450 0.381 1.00 0.00 N ATOM 1103 CA LEU A 71 4.741 1.621 1.193 1.00 0.00 C ATOM 1104 C LEU A 71 6.218 1.993 1.064 1.00 0.00 C ATOM 1105 O LEU A 71 6.771 2.675 1.907 1.00 0.00 O ATOM 1106 CB LEU A 71 4.336 1.348 2.647 1.00 0.00 C ATOM 1107 CG LEU A 71 2.825 1.143 2.823 1.00 0.00 C ATOM 1108 CD1 LEU A 71 2.532 -0.131 3.620 1.00 0.00 C ATOM 1109 CD2 LEU A 71 2.151 2.318 3.509 1.00 0.00 C ATOM 0 H LEU A 71 4.579 -0.438 0.867 1.00 0.00 H new ATOM 0 HA LEU A 71 4.159 2.473 0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.861 0.462 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.658 2.182 3.270 1.00 0.00 H new ATOM 0 HG LEU A 71 2.415 1.055 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.454 -0.252 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.942 -0.992 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.991 -0.057 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.084 2.119 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.586 2.460 4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.299 3.220 2.915 1.00 0.00 H new ATOM 1121 N ASN A 72 6.885 1.539 0.017 1.00 0.00 N ATOM 1122 CA ASN A 72 8.271 1.885 -0.263 1.00 0.00 C ATOM 1123 C ASN A 72 8.398 2.506 -1.643 1.00 0.00 C ATOM 1124 O ASN A 72 9.510 2.840 -2.050 1.00 0.00 O ATOM 1125 CB ASN A 72 9.132 0.629 -0.158 1.00 0.00 C ATOM 1126 CG ASN A 72 9.308 0.173 1.279 1.00 0.00 C ATOM 1127 OD1 ASN A 72 8.459 -0.343 1.982 1.00 0.00 O ATOM 1128 ND2 ASN A 72 10.492 0.376 1.802 1.00 0.00 N ATOM 0 H ASN A 72 6.474 0.910 -0.673 1.00 0.00 H new ATOM 0 HA ASN A 72 8.614 2.619 0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.675 -0.172 -0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.110 0.823 -0.598 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.677 0.104 2.768 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.229 0.806 1.244 1.00 0.00 H new ATOM 1135 N GLU A 73 7.266 2.673 -2.327 1.00 0.00 N ATOM 1136 CA GLU A 73 7.247 3.258 -3.642 1.00 0.00 C ATOM 1137 C GLU A 73 7.483 4.764 -3.605 1.00 0.00 C ATOM 1138 O GLU A 73 7.422 5.368 -2.519 1.00 0.00 O ATOM 1139 CB GLU A 73 5.921 2.884 -4.348 1.00 0.00 C ATOM 1140 CG GLU A 73 6.101 1.638 -5.214 1.00 0.00 C ATOM 1141 CD GLU A 73 7.172 1.848 -6.293 1.00 0.00 C ATOM 1142 OE1 GLU A 73 8.369 1.651 -5.984 1.00 0.00 O ATOM 1143 OE2 GLU A 73 6.800 2.195 -7.432 1.00 0.00 O ATOM 0 H GLU A 73 6.347 2.404 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 73 8.075 2.850 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.145 2.706 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.585 3.717 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.380 0.794 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.153 1.383 -5.687 1.00 0.00 H new ATOM 1150 N PRO A 74 7.722 5.399 -4.773 1.00 0.00 N ATOM 1151 CA PRO A 74 7.906 6.830 -4.902 1.00 0.00 C ATOM 1152 C PRO A 74 6.604 7.597 -4.713 1.00 0.00 C ATOM 1153 O PRO A 74 6.317 8.571 -5.401 1.00 0.00 O ATOM 1154 CB PRO A 74 8.548 7.040 -6.273 1.00 0.00 C ATOM 1155 CG PRO A 74 8.245 5.796 -7.095 1.00 0.00 C ATOM 1156 CD PRO A 74 7.786 4.772 -6.087 1.00 0.00 C ATOM 0 HA PRO A 74 8.550 7.228 -4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.145 7.930 -6.756 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.624 7.188 -6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.473 5.992 -7.840 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.128 5.453 -7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.808 4.381 -6.366 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.474 3.927 -6.068 1.00 0.00 H new ATOM 1164 N MET A 75 5.795 7.171 -3.751 1.00 0.00 N ATOM 1165 CA MET A 75 4.520 7.787 -3.452 1.00 0.00 C ATOM 1166 C MET A 75 3.999 7.354 -2.096 1.00 0.00 C ATOM 1167 O MET A 75 2.807 7.423 -1.842 1.00 0.00 O ATOM 1168 CB MET A 75 3.524 7.416 -4.555 1.00 0.00 C ATOM 1169 CG MET A 75 2.324 8.356 -4.531 1.00 0.00 C ATOM 1170 SD MET A 75 1.523 8.437 -6.139 1.00 0.00 S ATOM 1171 CE MET A 75 -0.187 8.576 -5.607 1.00 0.00 C ATOM 0 H MET A 75 6.015 6.376 -3.151 1.00 0.00 H new ATOM 0 HA MET A 75 4.648 8.869 -3.416 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.014 7.467 -5.527 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.190 6.387 -4.420 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.608 8.016 -3.783 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.647 9.353 -4.233 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.836 8.638 -6.481 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.457 7.701 -5.016 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.308 9.474 -5.001 1.00 0.00 H new ATOM 1181 N TRP A 76 4.882 6.905 -1.201 1.00 0.00 N ATOM 1182 CA TRP A 76 4.512 6.433 0.120 1.00 0.00 C ATOM 1183 C TRP A 76 5.723 6.569 1.026 1.00 0.00 C ATOM 1184 O TRP A 76 6.510 5.638 1.182 1.00 0.00 O ATOM 1185 CB TRP A 76 3.955 4.999 0.052 1.00 0.00 C ATOM 1186 CG TRP A 76 2.632 4.859 -0.645 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.371 4.145 -1.766 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.395 5.557 -0.337 1.00 0.00 C ATOM 1189 NE1 TRP A 76 1.053 4.331 -2.152 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.423 5.233 -1.324 1.00 0.00 C ATOM 1191 CE3 TRP A 76 1.035 6.499 0.635 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -0.850 5.810 -1.327 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.233 7.087 0.638 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.176 6.747 -0.331 1.00 0.00 C ATOM 0 H TRP A 76 5.885 6.862 -1.383 1.00 0.00 H new ATOM 0 HA TRP A 76 3.706 7.036 0.538 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.684 4.367 -0.456 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.855 4.617 1.068 1.00 0.00 H new ATOM 0 HD1 TRP A 76 3.085 3.522 -2.283 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.610 3.863 -2.942 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.750 6.776 1.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.572 5.540 -2.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.485 7.812 1.398 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.155 7.203 -0.316 1.00 0.00 H new ATOM 1205 N ILE A 77 5.912 7.759 1.621 1.00 0.00 N ATOM 1206 CA ILE A 77 7.079 8.054 2.459 1.00 0.00 C ATOM 1207 C ILE A 77 6.625 8.276 3.884 1.00 0.00 C ATOM 1208 O ILE A 77 5.719 7.617 4.347 1.00 0.00 O ATOM 1209 CB ILE A 77 7.924 9.210 1.883 1.00 0.00 C ATOM 1210 CG1 ILE A 77 7.886 9.281 0.347 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.371 9.105 2.405 1.00 0.00 C ATOM 1212 CD1 ILE A 77 8.247 7.945 -0.332 1.00 0.00 C ATOM 0 H ILE A 77 5.261 8.539 1.533 1.00 0.00 H new ATOM 0 HA ILE A 77 7.754 7.198 2.462 1.00 0.00 H new ATOM 0 HB ILE A 77 7.481 10.143 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 77 6.889 9.585 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.578 10.052 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.965 9.922 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.370 9.165 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.802 8.153 2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.201 8.063 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.255 7.650 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.540 7.176 -0.021 1.00 0.00 H new ATOM 1224 N ARG A 78 7.188 9.251 4.579 1.00 0.00 N ATOM 1225 CA ARG A 78 6.729 9.623 5.921 1.00 0.00 C ATOM 1226 C ARG A 78 5.217 9.799 6.019 1.00 0.00 C ATOM 1227 O ARG A 78 4.608 9.402 6.987 1.00 0.00 O ATOM 1228 CB ARG A 78 7.378 10.934 6.344 1.00 0.00 C ATOM 1229 CG ARG A 78 7.143 12.054 5.299 1.00 0.00 C ATOM 1230 CD ARG A 78 8.393 12.901 5.138 1.00 0.00 C ATOM 1231 NE ARG A 78 8.480 13.905 6.204 1.00 0.00 N ATOM 1232 CZ ARG A 78 9.340 14.903 6.244 1.00 0.00 C ATOM 1233 NH1 ARG A 78 10.229 15.058 5.300 1.00 0.00 N ATOM 1234 NH2 ARG A 78 9.316 15.753 7.230 1.00 0.00 N ATOM 0 H ARG A 78 7.971 9.808 4.238 1.00 0.00 H new ATOM 0 HA ARG A 78 7.016 8.799 6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.975 11.245 7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.449 10.783 6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.869 11.614 4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.309 12.682 5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.276 12.263 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.381 13.395 4.166 1.00 0.00 H new ATOM 0 HE ARG A 78 7.821 13.824 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.264 14.402 4.519 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.889 15.835 5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.629 15.648 7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.984 16.523 7.256 1.00 0.00 H new ATOM 1248 N MET A 79 4.605 10.350 4.976 1.00 0.00 N ATOM 1249 CA MET A 79 3.153 10.454 4.884 1.00 0.00 C ATOM 1250 C MET A 79 2.492 9.087 4.959 1.00 0.00 C ATOM 1251 O MET A 79 1.519 8.895 5.670 1.00 0.00 O ATOM 1252 CB MET A 79 2.758 11.125 3.569 1.00 0.00 C ATOM 1253 CG MET A 79 3.743 10.807 2.437 1.00 0.00 C ATOM 1254 SD MET A 79 3.014 10.928 0.814 1.00 0.00 S ATOM 1255 CE MET A 79 2.507 9.212 0.676 1.00 0.00 C ATOM 0 H MET A 79 5.100 10.736 4.172 1.00 0.00 H new ATOM 0 HA MET A 79 2.812 11.054 5.728 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.759 10.797 3.282 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.710 12.204 3.714 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.590 11.490 2.499 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.135 9.800 2.578 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.730 9.122 -0.083 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.364 8.601 0.392 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.119 8.869 1.635 1.00 0.00 H new ATOM 1265 N ARG A 80 3.062 8.093 4.272 1.00 0.00 N ATOM 1266 CA ARG A 80 2.553 6.735 4.387 1.00 0.00 C ATOM 1267 C ARG A 80 2.471 6.239 5.819 1.00 0.00 C ATOM 1268 O ARG A 80 1.714 5.331 6.046 1.00 0.00 O ATOM 1269 CB ARG A 80 3.405 5.758 3.584 1.00 0.00 C ATOM 1270 CG ARG A 80 4.479 5.071 4.464 1.00 0.00 C ATOM 1271 CD ARG A 80 5.689 4.679 3.675 1.00 0.00 C ATOM 1272 NE ARG A 80 6.548 3.766 4.436 1.00 0.00 N ATOM 1273 CZ ARG A 80 7.845 3.615 4.227 1.00 0.00 C ATOM 1274 NH1 ARG A 80 8.512 4.356 3.373 1.00 0.00 N ATOM 1275 NH2 ARG A 80 8.482 2.673 4.864 1.00 0.00 N ATOM 0 H ARG A 80 3.859 8.204 3.645 1.00 0.00 H new ATOM 0 HA ARG A 80 1.540 6.775 3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.763 5.000 3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.891 6.288 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.774 5.746 5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.050 4.185 4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.380 4.201 2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.253 5.571 3.403 1.00 0.00 H new ATOM 0 HE ARG A 80 6.117 3.211 5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.030 5.081 2.841 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.512 4.207 3.241 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.980 2.066 5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.483 2.543 4.714 1.00 0.00 H new ATOM 1289 N ASP A 81 3.271 6.764 6.746 1.00 0.00 N ATOM 1290 CA ASP A 81 3.259 6.332 8.149 1.00 0.00 C ATOM 1291 C ASP A 81 1.822 6.074 8.632 1.00 0.00 C ATOM 1292 O ASP A 81 1.465 5.042 9.207 1.00 0.00 O ATOM 1293 CB ASP A 81 3.897 7.430 9.004 1.00 0.00 C ATOM 1294 CG ASP A 81 4.189 7.036 10.450 1.00 0.00 C ATOM 1295 OD1 ASP A 81 3.608 6.034 10.916 1.00 0.00 O ATOM 1296 OD2 ASP A 81 5.052 7.730 11.032 1.00 0.00 O ATOM 0 H ASP A 81 3.947 7.502 6.549 1.00 0.00 H new ATOM 0 HA ASP A 81 3.820 5.402 8.241 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.830 7.740 8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.237 8.297 9.006 1.00 0.00 H new ATOM 1301 N GLN A 82 0.929 6.990 8.258 1.00 0.00 N ATOM 1302 CA GLN A 82 -0.473 6.834 8.577 1.00 0.00 C ATOM 1303 C GLN A 82 -1.130 5.742 7.757 1.00 0.00 C ATOM 1304 O GLN A 82 -1.740 4.828 8.307 1.00 0.00 O ATOM 1305 CB GLN A 82 -1.196 8.147 8.373 1.00 0.00 C ATOM 1306 CG GLN A 82 -2.456 8.209 9.226 1.00 0.00 C ATOM 1307 CD GLN A 82 -3.179 9.537 9.058 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -4.102 9.689 8.280 1.00 0.00 O ATOM 1309 NE2 GLN A 82 -2.743 10.551 9.775 1.00 0.00 N ATOM 0 H GLN A 82 1.157 7.838 7.739 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.541 6.536 9.623 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.536 8.975 8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.457 8.264 7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.124 7.393 8.950 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.194 8.066 10.274 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.969 10.420 10.426 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.179 11.468 9.679 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.957 5.790 6.435 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.468 4.770 5.522 1.00 0.00 C ATOM 1320 C VAL A 83 -0.854 3.403 5.832 1.00 0.00 C ATOM 1321 O VAL A 83 -1.310 2.385 5.348 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.270 5.178 4.047 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -1.389 6.689 3.869 1.00 0.00 C ATOM 1324 CG2 VAL A 83 0.028 4.689 3.429 1.00 0.00 C ATOM 0 H VAL A 83 -0.455 6.544 5.966 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.543 4.685 5.679 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.075 4.677 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.245 6.944 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.378 7.016 4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.629 7.187 4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.085 5.020 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.872 5.095 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.060 3.600 3.464 1.00 0.00 H new ATOM 1334 N MET A 84 0.199 3.355 6.642 1.00 0.00 N ATOM 1335 CA MET A 84 0.946 2.174 6.997 1.00 0.00 C ATOM 1336 C MET A 84 0.159 1.406 8.029 1.00 0.00 C ATOM 1337 O MET A 84 -0.184 0.252 7.802 1.00 0.00 O ATOM 1338 CB MET A 84 2.317 2.546 7.580 1.00 0.00 C ATOM 1339 CG MET A 84 3.438 1.869 6.816 1.00 0.00 C ATOM 1340 SD MET A 84 4.902 1.524 7.808 1.00 0.00 S ATOM 1341 CE MET A 84 5.594 3.191 7.881 1.00 0.00 C ATOM 0 H MET A 84 0.568 4.194 7.090 1.00 0.00 H new ATOM 0 HA MET A 84 1.107 1.571 6.103 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.450 3.627 7.544 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.360 2.255 8.629 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.066 0.933 6.400 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.723 2.501 5.975 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.681 3.137 7.815 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.208 3.782 7.050 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.311 3.662 8.823 1.00 0.00 H new ATOM 1351 N SER A 85 -0.218 2.073 9.126 1.00 0.00 N ATOM 1352 CA SER A 85 -1.072 1.480 10.153 1.00 0.00 C ATOM 1353 C SER A 85 -2.547 1.463 9.738 1.00 0.00 C ATOM 1354 O SER A 85 -3.441 1.149 10.527 1.00 0.00 O ATOM 1355 CB SER A 85 -0.915 2.245 11.460 1.00 0.00 C ATOM 1356 OG SER A 85 -1.591 1.569 12.505 1.00 0.00 O ATOM 0 H SER A 85 0.060 3.034 9.323 1.00 0.00 H new ATOM 0 HA SER A 85 -0.755 0.446 10.286 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.142 2.346 11.706 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.315 3.253 11.350 1.00 0.00 H new ATOM 0 HG SER A 85 -2.415 1.169 12.157 1.00 0.00 H new ATOM 1362 N MET A 86 -2.826 1.781 8.478 1.00 0.00 N ATOM 1363 CA MET A 86 -4.176 1.769 7.946 1.00 0.00 C ATOM 1364 C MET A 86 -4.305 0.725 6.859 1.00 0.00 C ATOM 1365 O MET A 86 -5.194 -0.132 6.889 1.00 0.00 O ATOM 1366 CB MET A 86 -4.503 3.147 7.412 1.00 0.00 C ATOM 1367 CG MET A 86 -4.620 4.186 8.522 1.00 0.00 C ATOM 1368 SD MET A 86 -6.073 3.895 9.548 1.00 0.00 S ATOM 1369 CE MET A 86 -5.426 4.484 11.124 1.00 0.00 C ATOM 0 H MET A 86 -2.117 2.055 7.798 1.00 0.00 H new ATOM 0 HA MET A 86 -4.881 1.513 8.736 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.729 3.455 6.709 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.440 3.106 6.856 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.724 4.160 9.142 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.676 5.183 8.084 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.192 4.382 11.893 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.552 3.894 11.402 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.142 5.532 11.032 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.330 0.692 5.957 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.254 -0.295 4.905 1.00 0.00 C ATOM 1381 C ALA A 87 -2.661 -1.603 5.404 1.00 0.00 C ATOM 1382 O ALA A 87 -2.331 -2.469 4.611 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.439 0.248 3.751 1.00 0.00 C ATOM 0 H ALA A 87 -2.562 1.364 5.943 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.268 -0.505 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.385 -0.500 2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.912 1.151 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.433 0.485 4.096 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.541 -1.759 6.723 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.127 -3.009 7.339 1.00 0.00 C ATOM 1391 C HIS A 88 -3.323 -3.844 7.768 1.00 0.00 C ATOM 1392 O HIS A 88 -3.187 -5.019 8.034 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.217 -2.706 8.529 1.00 0.00 C ATOM 1394 CG HIS A 88 -1.912 -2.282 9.810 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -1.440 -2.566 11.075 1.00 0.00 N ATOM 1396 CD2 HIS A 88 -3.072 -1.571 9.948 1.00 0.00 C ATOM 1397 CE1 HIS A 88 -2.310 -2.051 11.966 1.00 0.00 C ATOM 1398 NE2 HIS A 88 -3.308 -1.447 11.302 1.00 0.00 N ATOM 0 H HIS A 88 -2.731 -1.014 7.393 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.577 -3.597 6.604 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.621 -3.594 8.740 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.523 -1.918 8.238 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.686 -1.181 9.150 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -2.219 -2.114 13.040 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.107 -0.976 11.727 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.496 -3.221 7.917 1.00 0.00 N ATOM 1408 CA ASN A 89 -5.739 -3.881 8.293 1.00 0.00 C ATOM 1409 C ASN A 89 -6.761 -3.798 7.176 1.00 0.00 C ATOM 1410 O ASN A 89 -7.558 -4.702 7.008 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.358 -3.218 9.520 1.00 0.00 C ATOM 1412 CG ASN A 89 -5.841 -3.810 10.808 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -6.547 -4.017 11.768 1.00 0.00 O ATOM 1414 ND2 ASN A 89 -4.560 -4.077 10.858 1.00 0.00 N ATOM 0 H ASN A 89 -4.605 -2.217 7.774 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.489 -4.921 8.503 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.143 -2.150 9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.442 -3.326 9.482 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.152 -4.462 11.710 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -3.970 -3.900 10.045 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.685 -2.760 6.346 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.518 -2.679 5.151 1.00 0.00 C ATOM 1423 C LEU A 90 -7.401 -3.949 4.298 1.00 0.00 C ATOM 1424 O LEU A 90 -8.422 -4.497 3.889 1.00 0.00 O ATOM 1425 CB LEU A 90 -7.090 -1.458 4.333 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.796 -0.163 4.749 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -6.894 1.042 4.479 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.120 -0.037 3.996 1.00 0.00 C ATOM 0 H LEU A 90 -6.057 -1.967 6.479 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.560 -2.583 5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.013 -1.323 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.291 -1.649 3.279 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.005 -0.192 5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.408 1.955 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.971 0.941 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.660 1.090 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.621 0.884 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.928 -0.016 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.757 -0.889 4.234 1.00 0.00 H new ATOM 1440 N PRO A 91 -6.176 -4.442 4.029 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.998 -5.686 3.322 1.00 0.00 C ATOM 1442 C PRO A 91 -6.364 -6.893 4.171 1.00 0.00 C ATOM 1443 O PRO A 91 -6.668 -7.949 3.643 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.539 -5.726 2.875 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.831 -4.742 3.774 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.892 -3.935 4.466 1.00 0.00 C ATOM 0 HA PRO A 91 -6.669 -5.734 2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -4.121 -6.727 2.979 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.439 -5.446 1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.208 -5.263 4.501 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.172 -4.096 3.194 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.794 -4.020 5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.792 -2.878 4.219 1.00 0.00 H new ATOM 1454 N ILE A 92 -6.350 -6.754 5.492 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.781 -7.838 6.383 1.00 0.00 C ATOM 1456 C ILE A 92 -8.291 -8.022 6.381 1.00 0.00 C ATOM 1457 O ILE A 92 -8.746 -9.157 6.382 1.00 0.00 O ATOM 1458 CB ILE A 92 -6.308 -7.557 7.813 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.795 -7.781 7.864 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -7.101 -8.335 8.870 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -4.260 -8.037 9.278 1.00 0.00 C ATOM 0 H ILE A 92 -6.047 -5.907 5.973 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.332 -8.759 6.009 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.510 -6.518 8.074 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.540 -8.629 7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.293 -6.908 7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.719 -8.094 9.862 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.154 -8.060 8.810 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.994 -9.405 8.690 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.181 -8.187 9.237 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.483 -7.179 9.912 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.735 -8.927 9.691 1.00 0.00 H new ATOM 1473 N GLU A 93 -9.058 -6.934 6.359 1.00 0.00 N ATOM 1474 CA GLU A 93 -10.523 -6.992 6.315 1.00 0.00 C ATOM 1475 C GLU A 93 -11.031 -7.749 5.089 1.00 0.00 C ATOM 1476 O GLU A 93 -12.142 -8.269 5.068 1.00 0.00 O ATOM 1477 CB GLU A 93 -11.105 -5.571 6.300 1.00 0.00 C ATOM 1478 CG GLU A 93 -11.457 -5.090 7.715 1.00 0.00 C ATOM 1479 CD GLU A 93 -12.954 -4.779 7.828 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -13.758 -5.705 7.589 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -13.278 -3.599 8.088 1.00 0.00 O ATOM 0 H GLU A 93 -8.684 -5.985 6.371 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.850 -7.527 7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.385 -4.887 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.998 -5.549 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.184 -5.855 8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.877 -4.199 7.956 1.00 0.00 H new ATOM 1488 N CYS A 94 -10.184 -7.860 4.065 1.00 0.00 N ATOM 1489 CA CYS A 94 -10.468 -8.683 2.905 1.00 0.00 C ATOM 1490 C CYS A 94 -9.788 -10.045 2.968 1.00 0.00 C ATOM 1491 O CYS A 94 -10.188 -10.929 2.219 1.00 0.00 O ATOM 1492 CB CYS A 94 -10.024 -7.943 1.647 1.00 0.00 C ATOM 1493 SG CYS A 94 -11.311 -6.899 0.895 1.00 0.00 S ATOM 0 H CYS A 94 -9.285 -7.380 4.023 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.542 -8.866 2.886 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -9.164 -7.319 1.892 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.689 -8.673 0.910 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.784 -10.221 3.835 1.00 0.00 N ATOM 1499 CA ASN A 95 -8.034 -11.448 4.080 1.00 0.00 C ATOM 1500 C ASN A 95 -6.843 -11.563 3.124 1.00 0.00 C ATOM 1501 O ASN A 95 -6.546 -12.618 2.560 1.00 0.00 O ATOM 1502 CB ASN A 95 -8.940 -12.682 3.971 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.438 -13.817 4.829 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.159 -14.421 5.601 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.159 -14.119 4.761 1.00 0.00 N ATOM 0 H ASN A 95 -8.455 -9.454 4.422 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.648 -11.403 5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.954 -12.418 4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.991 -13.006 2.932 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.777 -14.856 5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.550 -13.616 4.116 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.173 -10.444 2.920 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.061 -10.366 1.994 1.00 0.00 C ATOM 1514 C LEU A 96 -3.792 -10.501 2.802 1.00 0.00 C ATOM 1515 O LEU A 96 -2.878 -11.150 2.360 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.120 -9.055 1.208 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.501 -8.768 0.581 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.725 -7.262 0.452 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -6.618 -9.482 -0.764 1.00 0.00 C ATOM 0 H LEU A 96 -6.385 -9.565 3.392 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.099 -11.166 1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.854 -8.232 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.370 -9.082 0.417 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.284 -9.155 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.703 -7.076 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.681 -6.802 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.951 -6.832 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.595 -9.276 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.837 -9.124 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.506 -10.556 -0.617 1.00 0.00 H new ATOM 1531 N MET A 97 -3.759 -9.970 4.028 1.00 0.00 N ATOM 1532 CA MET A 97 -2.580 -10.088 4.873 1.00 0.00 C ATOM 1533 C MET A 97 -2.948 -10.334 6.328 1.00 0.00 C ATOM 1534 O MET A 97 -2.190 -9.953 7.212 1.00 0.00 O ATOM 1535 CB MET A 97 -1.706 -8.848 4.697 1.00 0.00 C ATOM 1536 CG MET A 97 -2.349 -7.616 5.322 1.00 0.00 C ATOM 1537 SD MET A 97 -1.164 -6.304 5.700 1.00 0.00 S ATOM 1538 CE MET A 97 -0.913 -6.665 7.460 1.00 0.00 C ATOM 0 H MET A 97 -4.534 -9.458 4.450 1.00 0.00 H new ATOM 0 HA MET A 97 -2.007 -10.961 4.561 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.731 -9.021 5.153 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.534 -8.671 3.635 1.00 0.00 H new ATOM 0 HG2 MET A 97 -3.107 -7.226 4.643 1.00 0.00 H new ATOM 0 HG3 MET A 97 -2.862 -7.908 6.238 1.00 0.00 H new ATOM 0 HE1 MET A 97 -0.661 -5.745 7.988 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.827 -7.086 7.879 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.099 -7.382 7.572 1.00 0.00 H new ATOM 1548 N SER A 98 -4.103 -10.964 6.581 1.00 0.00 N ATOM 1549 CA SER A 98 -4.642 -11.180 7.931 1.00 0.00 C ATOM 1550 C SER A 98 -3.553 -11.478 8.954 1.00 0.00 C ATOM 1551 O SER A 98 -3.227 -10.675 9.818 1.00 0.00 O ATOM 1552 CB SER A 98 -5.658 -12.312 7.923 1.00 0.00 C ATOM 1553 OG SER A 98 -6.836 -11.877 7.287 1.00 0.00 O ATOM 0 H SER A 98 -4.697 -11.343 5.844 1.00 0.00 H new ATOM 0 HA SER A 98 -5.127 -10.250 8.227 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.250 -13.179 7.403 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.877 -12.626 8.943 1.00 0.00 H new ATOM 0 HG SER A 98 -7.492 -12.605 7.279 1.00 0.00 H new ATOM 1559 N GLN A 99 -2.954 -12.649 8.807 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.781 -12.999 9.577 1.00 0.00 C ATOM 1561 C GLN A 99 -0.970 -14.089 8.868 1.00 0.00 C ATOM 1562 O GLN A 99 -0.707 -15.136 9.455 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.270 -13.373 10.989 1.00 0.00 C ATOM 1564 CG GLN A 99 -1.475 -12.600 12.037 1.00 0.00 C ATOM 1565 CD GLN A 99 -2.028 -12.942 13.405 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -2.697 -12.160 14.057 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -1.795 -14.158 13.852 1.00 0.00 N ATOM 0 H GLN A 99 -3.265 -13.372 8.158 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.082 -12.168 9.669 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.332 -13.148 11.087 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.155 -14.445 11.151 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.418 -12.860 11.979 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.550 -11.528 11.855 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.234 -14.806 13.299 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.176 -14.452 14.751 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.617 -13.886 7.584 1.00 0.00 N ATOM 1577 CA PRO A 100 0.123 -14.875 6.827 1.00 0.00 C ATOM 1578 C PRO A 100 1.574 -14.916 7.283 1.00 0.00 C ATOM 1579 O PRO A 100 1.982 -15.784 8.048 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.029 -14.480 5.358 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.430 -13.010 5.370 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.851 -12.690 6.792 1.00 0.00 C ATOM 0 HA PRO A 100 -0.257 -15.885 6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.904 -14.628 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -0.786 -15.089 4.864 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.403 -12.378 5.060 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.247 -12.825 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.278 -11.850 7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.902 -12.403 6.828 1.00 0.00 H new ATOM 1590 N CYS A 101 2.377 -13.974 6.801 1.00 0.00 N ATOM 1591 CA CYS A 101 3.783 -13.912 7.132 1.00 0.00 C ATOM 1592 C CYS A 101 3.905 -13.339 8.540 1.00 0.00 C ATOM 1593 O CYS A 101 3.441 -12.226 8.796 1.00 0.00 O ATOM 1594 CB CYS A 101 4.527 -13.066 6.096 1.00 0.00 C ATOM 1595 SG CYS A 101 3.847 -13.157 4.407 1.00 0.00 S ATOM 0 H CYS A 101 2.065 -13.235 6.171 1.00 0.00 H new ATOM 0 HA CYS A 101 4.238 -14.903 7.112 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.517 -12.026 6.421 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.570 -13.382 6.071 1.00 0.00 H new ATOM 1600 N GLN A 102 4.487 -14.113 9.448 1.00 0.00 N ATOM 1601 CA GLN A 102 4.686 -13.711 10.832 1.00 0.00 C ATOM 1602 C GLN A 102 6.156 -13.824 11.201 1.00 0.00 C ATOM 1603 O GLN A 102 6.991 -14.163 10.356 1.00 0.00 O ATOM 1604 CB GLN A 102 3.792 -14.551 11.750 1.00 0.00 C ATOM 1605 CG GLN A 102 2.313 -14.354 11.407 1.00 0.00 C ATOM 1606 CD GLN A 102 1.434 -14.919 12.505 1.00 0.00 C ATOM 1607 OE1 GLN A 102 1.112 -14.281 13.491 1.00 0.00 O ATOM 1608 NE2 GLN A 102 0.991 -16.145 12.356 1.00 0.00 N ATOM 0 H GLN A 102 4.838 -15.048 9.240 1.00 0.00 H new ATOM 0 HA GLN A 102 4.399 -12.667 10.959 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.054 -15.605 11.654 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.968 -14.273 12.789 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.103 -13.293 11.274 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.084 -14.845 10.461 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.256 -16.686 11.533 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.382 -16.557 13.063 1.00 0.00 H new ATOM 1617 N MET A 103 6.463 -13.510 12.455 1.00 0.00 N ATOM 1618 CA MET A 103 7.803 -13.590 13.017 1.00 0.00 C ATOM 1619 C MET A 103 7.870 -14.558 14.198 1.00 0.00 C ATOM 1620 O MET A 103 6.823 -14.766 14.839 1.00 0.00 O ATOM 1621 CB MET A 103 8.245 -12.179 13.400 1.00 0.00 C ATOM 1622 CG MET A 103 9.751 -12.023 13.236 1.00 0.00 C ATOM 1623 SD MET A 103 10.637 -12.484 14.739 1.00 0.00 S ATOM 1624 CE MET A 103 12.133 -11.525 14.536 1.00 0.00 C ATOM 1625 OXT MET A 103 8.960 -15.103 14.435 1.00 0.00 O ATOM 0 H MET A 103 5.767 -13.184 13.125 1.00 0.00 H new ATOM 0 HA MET A 103 8.489 -13.994 12.273 1.00 0.00 H new ATOM 0 HB2 MET A 103 7.729 -11.449 12.776 1.00 0.00 H new ATOM 0 HB3 MET A 103 7.963 -11.972 14.432 1.00 0.00 H new ATOM 0 HG2 MET A 103 10.093 -12.643 12.407 1.00 0.00 H new ATOM 0 HG3 MET A 103 9.984 -10.990 12.979 1.00 0.00 H new ATOM 0 HE1 MET A 103 12.794 -11.697 15.386 1.00 0.00 H new ATOM 0 HE2 MET A 103 12.637 -11.827 13.618 1.00 0.00 H new ATOM 0 HE3 MET A 103 11.882 -10.466 14.481 1.00 0.00 H new TER 1635 MET A 103