USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 754 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 82 MET CE :methyl -170:sc= -1.7 (180deg=-1.75) USER MOD Set 1.2: A 96 MET CE :methyl -179:sc= -0.368 (180deg=-0.24) USER MOD Set 2.1: A 75 ASN : amide:sc= 1.97 K(o=5.2,f=0.45) USER MOD Set 2.2: A 78 SER OG : rot -151:sc= 2.03 USER MOD Set 2.3: A 121 SER OG : rot 85:sc= 1.23 USER MOD Set 3.1: A 63 CYS SG : rot -51:sc= 0.582 USER MOD Set 3.2: A 90 CYS SG : rot 180:sc= 0.788 USER MOD Set 4.1: A 32 THR OG1 : rot -141:sc= 1.65 USER MOD Set 4.2: A 50 THR OG1 : rot -28:sc= 0.876 USER MOD Single : A 26 GLN :FLIP amide:sc= 0.0519 F(o=-0.83,f=0.052) USER MOD Single : A 33 TYR OH : rot 174:sc= -3.39! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.752 K(o=0.75,f=-6.5!) USER MOD Single : A 41 ASN : amide:sc= 0.665 K(o=0.66,f=-3.5!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc=-0.00054 X(o=-0.00054,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 56 SER OG : rot 70:sc= 1.17 USER MOD Single : A 58 GLN : amide:sc= -0.431 K(o=-0.43,f=-5.3!) USER MOD Single : A 65 THR OG1 : rot 151:sc= 0.225 USER MOD Single : A 68 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.6!) USER MOD Single : A 71 SER OG : rot 64:sc= 0.226 USER MOD Single : A 72 MET CE :methyl -160:sc= -2.03 (180deg=-3.43!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc=-0.00461 X(o=-0.0046,f=-0.029) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.625 X(o=-0.62,f=-0.62) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.233 F(o=-1.3,f=-0.23) USER MOD Single : A 108 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.39) USER MOD Single : A 109 GLN : amide:sc= 0.819 K(o=0.82,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.0808 K(o=0.081,f=-5!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 120 MET CE :methyl -172:sc= -0.407 (180deg=-0.607) USER MOD Single : A 122 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -4.588 -11.987 -11.845 1.00 0.00 N ATOM 2 CA GLY A 25 -5.542 -13.104 -11.923 1.00 0.00 C ATOM 3 C GLY A 25 -6.301 -13.199 -10.614 1.00 0.00 C ATOM 4 O GLY A 25 -5.797 -12.750 -9.589 1.00 0.00 O ATOM 0 HA2 GLY A 25 -6.235 -12.949 -12.750 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.014 -14.037 -12.120 1.00 0.00 H new ATOM 8 N GLN A 26 -7.521 -13.744 -10.607 1.00 0.00 N ATOM 9 CA GLN A 26 -8.279 -13.918 -9.382 1.00 0.00 C ATOM 10 C GLN A 26 -7.944 -15.279 -8.787 1.00 0.00 C ATOM 11 O GLN A 26 -8.415 -16.305 -9.278 1.00 0.00 O ATOM 12 CB GLN A 26 -9.784 -13.732 -9.605 1.00 0.00 C ATOM 13 CG GLN A 26 -10.571 -13.811 -8.285 1.00 0.00 C ATOM 14 CD GLN A 26 -10.037 -12.856 -7.219 1.00 0.00 C ATOM 15 OE1 GLN A 26 -9.120 -13.319 -6.376 1.00 0.00 O flip ATOM 16 NE2 GLN A 26 -10.420 -11.697 -7.205 1.00 0.00 N flip ATOM 0 H GLN A 26 -8.000 -14.072 -11.446 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.995 -13.143 -8.670 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.965 -12.767 -10.079 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.147 -14.497 -10.291 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.619 -13.583 -8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.532 -14.832 -7.904 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.126 -11.385 -7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.034 -11.040 -6.527 1.00 0.00 H new ATOM 25 N GLU A 27 -7.132 -15.290 -7.732 1.00 0.00 N ATOM 26 CA GLU A 27 -6.547 -16.526 -7.227 1.00 0.00 C ATOM 27 C GLU A 27 -6.153 -16.448 -5.750 1.00 0.00 C ATOM 28 O GLU A 27 -5.397 -17.288 -5.262 1.00 0.00 O ATOM 29 CB GLU A 27 -5.423 -16.988 -8.179 1.00 0.00 C ATOM 30 CG GLU A 27 -4.461 -15.885 -8.655 1.00 0.00 C ATOM 31 CD GLU A 27 -3.689 -16.369 -9.881 1.00 0.00 C ATOM 32 OE1 GLU A 27 -4.115 -16.059 -11.020 1.00 0.00 O ATOM 33 OE2 GLU A 27 -2.726 -17.153 -9.740 1.00 0.00 O ATOM 0 H GLU A 27 -6.865 -14.455 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.308 -17.307 -7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.841 -17.761 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.880 -17.450 -9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.020 -14.982 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.767 -15.624 -7.856 1.00 0.00 H new ATOM 41 N LEU A 28 -6.722 -15.499 -5.002 1.00 0.00 N ATOM 42 CA LEU A 28 -6.757 -15.524 -3.539 1.00 0.00 C ATOM 43 C LEU A 28 -8.118 -15.066 -3.006 1.00 0.00 C ATOM 44 O LEU A 28 -8.671 -14.094 -3.531 1.00 0.00 O ATOM 45 CB LEU A 28 -5.628 -14.674 -2.933 1.00 0.00 C ATOM 46 CG LEU A 28 -4.233 -15.334 -2.913 1.00 0.00 C ATOM 47 CD1 LEU A 28 -3.227 -14.350 -2.318 1.00 0.00 C ATOM 48 CD2 LEU A 28 -4.188 -16.610 -2.064 1.00 0.00 C ATOM 0 H LEU A 28 -7.178 -14.679 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.602 -16.558 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.560 -13.741 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.902 -14.414 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.994 -15.599 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.238 -14.807 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.198 -13.447 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.527 -14.093 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.182 -17.028 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.457 -16.372 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.893 -17.338 -2.464 1.00 0.00 H new ATOM 60 N PRO A 29 -8.694 -15.741 -1.992 1.00 0.00 N ATOM 61 CA PRO A 29 -9.909 -15.295 -1.315 1.00 0.00 C ATOM 62 C PRO A 29 -9.556 -14.133 -0.372 1.00 0.00 C ATOM 63 O PRO A 29 -8.500 -14.204 0.266 1.00 0.00 O ATOM 64 CB PRO A 29 -10.401 -16.508 -0.522 1.00 0.00 C ATOM 65 CG PRO A 29 -9.122 -17.291 -0.218 1.00 0.00 C ATOM 66 CD PRO A 29 -8.206 -16.978 -1.397 1.00 0.00 C ATOM 0 HA PRO A 29 -10.674 -14.941 -2.006 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -10.912 -16.207 0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.107 -17.104 -1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.677 -16.977 0.727 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.318 -18.360 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.174 -16.867 -1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.221 -17.789 -2.125 1.00 0.00 H new ATOM 74 N PRO A 30 -10.383 -13.074 -0.258 1.00 0.00 N ATOM 75 CA PRO A 30 -10.096 -11.944 0.619 1.00 0.00 C ATOM 76 C PRO A 30 -10.075 -12.365 2.106 1.00 0.00 C ATOM 77 O PRO A 30 -10.569 -13.457 2.420 1.00 0.00 O ATOM 78 CB PRO A 30 -11.094 -10.854 0.240 1.00 0.00 C ATOM 79 CG PRO A 30 -12.214 -11.543 -0.540 1.00 0.00 C ATOM 80 CD PRO A 30 -11.643 -12.897 -0.961 1.00 0.00 C ATOM 0 HA PRO A 30 -9.091 -11.545 0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.487 -10.361 1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.616 -10.084 -0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.104 -11.667 0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.508 -10.954 -1.408 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.337 -13.700 -0.713 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.489 -12.930 -2.040 1.00 0.00 H new ATOM 88 N GLY A 31 -9.497 -11.549 3.011 1.00 0.00 N ATOM 89 CA GLY A 31 -9.485 -11.883 4.449 1.00 0.00 C ATOM 90 C GLY A 31 -8.213 -11.667 5.295 1.00 0.00 C ATOM 91 O GLY A 31 -7.989 -12.451 6.212 1.00 0.00 O ATOM 0 H GLY A 31 -9.039 -10.668 2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.284 -11.310 4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.754 -12.936 4.537 1.00 0.00 H new ATOM 95 N THR A 32 -7.415 -10.619 5.059 1.00 0.00 N ATOM 96 CA THR A 32 -6.303 -10.123 5.902 1.00 0.00 C ATOM 97 C THR A 32 -5.097 -11.068 6.059 1.00 0.00 C ATOM 98 O THR A 32 -5.195 -12.189 6.555 1.00 0.00 O ATOM 99 CB THR A 32 -6.822 -9.465 7.217 1.00 0.00 C ATOM 100 OG1 THR A 32 -6.031 -8.348 7.573 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.873 -10.354 8.451 1.00 0.00 C ATOM 0 H THR A 32 -7.531 -10.052 4.219 1.00 0.00 H new ATOM 0 HA THR A 32 -5.844 -9.319 5.328 1.00 0.00 H new ATOM 0 HB THR A 32 -7.848 -9.206 6.955 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.912 -8.328 8.546 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.251 -9.780 9.297 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.534 -11.200 8.263 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.871 -10.719 8.678 1.00 0.00 H new ATOM 109 N TYR A 33 -3.923 -10.593 5.626 1.00 0.00 N ATOM 110 CA TYR A 33 -2.648 -11.308 5.690 1.00 0.00 C ATOM 111 C TYR A 33 -1.756 -10.656 6.722 1.00 0.00 C ATOM 112 O TYR A 33 -2.073 -9.567 7.168 1.00 0.00 O ATOM 113 CB TYR A 33 -1.927 -11.305 4.340 1.00 0.00 C ATOM 114 CG TYR A 33 -1.636 -9.936 3.749 1.00 0.00 C ATOM 115 CD1 TYR A 33 -0.708 -9.014 4.277 1.00 0.00 C ATOM 116 CD2 TYR A 33 -2.327 -9.569 2.602 1.00 0.00 C ATOM 117 CE1 TYR A 33 -0.440 -7.817 3.581 1.00 0.00 C ATOM 118 CE2 TYR A 33 -2.118 -8.349 1.986 1.00 0.00 C ATOM 119 CZ TYR A 33 -1.126 -7.495 2.409 1.00 0.00 C ATOM 120 OH TYR A 33 -0.993 -6.318 1.762 1.00 0.00 O ATOM 0 H TYR A 33 -3.834 -9.667 5.207 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.861 -12.342 5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.984 -11.840 4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.529 -11.867 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.205 -9.224 5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.047 -10.255 2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.309 -7.138 3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.746 -8.061 1.156 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.488 -6.352 0.917 1.00 0.00 H new ATOM 130 N ARG A 34 -0.606 -11.257 7.013 1.00 0.00 N ATOM 131 CA ARG A 34 0.428 -10.777 7.928 1.00 0.00 C ATOM 132 C ARG A 34 1.753 -10.694 7.176 1.00 0.00 C ATOM 133 O ARG A 34 2.295 -11.745 6.833 1.00 0.00 O ATOM 134 CB ARG A 34 0.480 -11.755 9.117 1.00 0.00 C ATOM 135 CG ARG A 34 1.611 -11.495 10.118 1.00 0.00 C ATOM 136 CD ARG A 34 1.496 -10.121 10.797 1.00 0.00 C ATOM 137 NE ARG A 34 1.469 -10.225 12.262 1.00 0.00 N ATOM 138 CZ ARG A 34 2.518 -10.400 13.070 1.00 0.00 C ATOM 139 NH1 ARG A 34 3.742 -10.599 12.587 1.00 0.00 N ATOM 140 NH2 ARG A 34 2.337 -10.344 14.379 1.00 0.00 N ATOM 0 H ARG A 34 -0.354 -12.150 6.589 1.00 0.00 H new ATOM 0 HA ARG A 34 0.214 -9.778 8.309 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.472 -11.711 9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.583 -12.769 8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.603 -12.274 10.880 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.569 -11.563 9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.337 -9.497 10.494 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.589 -9.623 10.453 1.00 0.00 H new ATOM 0 HE ARG A 34 0.554 -10.156 12.708 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.895 -10.620 11.579 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.527 -10.730 13.225 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.406 -10.169 14.758 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.128 -10.476 15.009 1.00 0.00 H new ATOM 154 N VAL A 35 2.246 -9.491 6.871 1.00 0.00 N ATOM 155 CA VAL A 35 3.487 -9.290 6.111 1.00 0.00 C ATOM 156 C VAL A 35 4.131 -7.962 6.500 1.00 0.00 C ATOM 157 O VAL A 35 3.580 -7.199 7.302 1.00 0.00 O ATOM 158 CB VAL A 35 3.213 -9.311 4.588 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.463 -10.510 3.993 1.00 0.00 C ATOM 160 CG2 VAL A 35 2.469 -8.053 4.176 1.00 0.00 C ATOM 0 H VAL A 35 1.792 -8.620 7.146 1.00 0.00 H new ATOM 0 HA VAL A 35 4.168 -10.107 6.351 1.00 0.00 H new ATOM 0 HB VAL A 35 4.221 -9.387 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.352 -10.372 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.026 -11.423 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.478 -10.587 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.281 -8.077 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.520 -8.000 4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.071 -7.178 4.419 1.00 0.00 H new ATOM 170 N ASP A 36 5.255 -7.663 5.847 1.00 0.00 N ATOM 171 CA ASP A 36 5.978 -6.423 6.013 1.00 0.00 C ATOM 172 C ASP A 36 5.655 -5.586 4.772 1.00 0.00 C ATOM 173 O ASP A 36 5.905 -6.038 3.653 1.00 0.00 O ATOM 174 CB ASP A 36 7.493 -6.626 6.199 1.00 0.00 C ATOM 175 CG ASP A 36 8.019 -7.888 6.903 1.00 0.00 C ATOM 176 OD1 ASP A 36 9.113 -8.340 6.492 1.00 0.00 O ATOM 177 OD2 ASP A 36 7.442 -8.403 7.889 1.00 0.00 O ATOM 0 H ASP A 36 5.689 -8.297 5.176 1.00 0.00 H new ATOM 0 HA ASP A 36 5.668 -5.919 6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.948 -6.593 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.870 -5.766 6.752 1.00 0.00 H new ATOM 183 N ILE A 37 5.028 -4.416 4.937 1.00 0.00 N ATOM 184 CA ILE A 37 4.827 -3.424 3.880 1.00 0.00 C ATOM 185 C ILE A 37 6.212 -2.916 3.478 1.00 0.00 C ATOM 186 O ILE A 37 6.999 -2.501 4.337 1.00 0.00 O ATOM 187 CB ILE A 37 3.897 -2.270 4.335 1.00 0.00 C ATOM 188 CG1 ILE A 37 2.506 -2.798 4.768 1.00 0.00 C ATOM 189 CG2 ILE A 37 3.720 -1.247 3.187 1.00 0.00 C ATOM 190 CD1 ILE A 37 2.371 -3.117 6.260 1.00 0.00 C ATOM 0 H ILE A 37 4.637 -4.127 5.834 1.00 0.00 H new ATOM 0 HA ILE A 37 4.324 -3.877 3.026 1.00 0.00 H new ATOM 0 HB ILE A 37 4.365 -1.788 5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.753 -2.056 4.501 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.282 -3.699 4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.065 -0.440 3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.692 -0.836 2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.278 -1.743 2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.364 -3.479 6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.095 -3.884 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.558 -2.215 6.843 1.00 0.00 H new ATOM 202 N TYR A 38 6.489 -2.921 2.178 1.00 0.00 N ATOM 203 CA TYR A 38 7.807 -2.687 1.620 1.00 0.00 C ATOM 204 C TYR A 38 7.586 -1.666 0.531 1.00 0.00 C ATOM 205 O TYR A 38 7.110 -2.027 -0.537 1.00 0.00 O ATOM 206 CB TYR A 38 8.401 -3.993 1.068 1.00 0.00 C ATOM 207 CG TYR A 38 9.670 -4.440 1.747 1.00 0.00 C ATOM 208 CD1 TYR A 38 9.614 -5.230 2.907 1.00 0.00 C ATOM 209 CD2 TYR A 38 10.908 -4.119 1.169 1.00 0.00 C ATOM 210 CE1 TYR A 38 10.796 -5.765 3.448 1.00 0.00 C ATOM 211 CE2 TYR A 38 12.098 -4.623 1.716 1.00 0.00 C ATOM 212 CZ TYR A 38 12.042 -5.482 2.836 1.00 0.00 C ATOM 213 OH TYR A 38 13.189 -6.069 3.272 1.00 0.00 O ATOM 0 H TYR A 38 5.779 -3.094 1.467 1.00 0.00 H new ATOM 0 HA TYR A 38 8.521 -2.330 2.363 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.656 -4.784 1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 38 8.599 -3.866 0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.664 -5.426 3.383 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.945 -3.481 0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.754 -6.390 4.328 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.051 -4.356 1.283 1.00 0.00 H new ATOM 0 HH TYR A 38 13.943 -5.755 2.731 1.00 0.00 H new ATOM 223 N LEU A 39 7.813 -0.391 0.818 1.00 0.00 N ATOM 224 CA LEU A 39 7.659 0.644 -0.181 1.00 0.00 C ATOM 225 C LEU A 39 8.981 0.827 -0.898 1.00 0.00 C ATOM 226 O LEU A 39 9.991 1.064 -0.238 1.00 0.00 O ATOM 227 CB LEU A 39 7.233 1.963 0.460 1.00 0.00 C ATOM 228 CG LEU A 39 7.047 3.045 -0.614 1.00 0.00 C ATOM 229 CD1 LEU A 39 5.868 2.744 -1.543 1.00 0.00 C ATOM 230 CD2 LEU A 39 6.829 4.399 0.037 1.00 0.00 C ATOM 0 H LEU A 39 8.104 -0.054 1.736 1.00 0.00 H new ATOM 0 HA LEU A 39 6.884 0.346 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.302 1.824 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.984 2.283 1.182 1.00 0.00 H new ATOM 0 HG LEU A 39 7.958 3.056 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.777 3.537 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.036 1.793 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.950 2.687 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.699 5.157 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.938 4.362 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.694 4.651 0.651 1.00 0.00 H new ATOM 242 N ASN A 40 8.958 0.801 -2.231 1.00 0.00 N ATOM 243 CA ASN A 40 10.100 1.151 -3.077 1.00 0.00 C ATOM 244 C ASN A 40 11.338 0.364 -2.650 1.00 0.00 C ATOM 245 O ASN A 40 12.462 0.872 -2.665 1.00 0.00 O ATOM 246 CB ASN A 40 10.284 2.688 -3.106 1.00 0.00 C ATOM 247 CG ASN A 40 9.128 3.442 -3.759 1.00 0.00 C ATOM 248 OD1 ASN A 40 8.395 2.898 -4.579 1.00 0.00 O ATOM 249 ND2 ASN A 40 8.922 4.700 -3.417 1.00 0.00 N ATOM 0 H ASN A 40 8.130 0.531 -2.763 1.00 0.00 H new ATOM 0 HA ASN A 40 9.917 0.857 -4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.407 3.048 -2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.205 2.923 -3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.152 5.222 -3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.533 5.150 -2.735 1.00 0.00 H new ATOM 256 N ASN A 41 11.104 -0.909 -2.307 1.00 0.00 N ATOM 257 CA ASN A 41 12.059 -1.903 -1.857 1.00 0.00 C ATOM 258 C ASN A 41 12.716 -1.547 -0.526 1.00 0.00 C ATOM 259 O ASN A 41 13.863 -1.939 -0.288 1.00 0.00 O ATOM 260 CB ASN A 41 13.032 -2.272 -2.982 1.00 0.00 C ATOM 261 CG ASN A 41 12.355 -3.151 -4.019 1.00 0.00 C ATOM 262 OD1 ASN A 41 12.234 -4.362 -3.839 1.00 0.00 O ATOM 263 ND2 ASN A 41 11.900 -2.586 -5.116 1.00 0.00 N ATOM 0 H ASN A 41 10.159 -1.292 -2.344 1.00 0.00 H new ATOM 0 HA ASN A 41 11.511 -2.816 -1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.406 -1.365 -3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.895 -2.792 -2.566 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.441 -3.153 -5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.006 -1.581 -5.254 1.00 0.00 H new ATOM 270 N GLY A 42 12.005 -0.871 0.378 1.00 0.00 N ATOM 271 CA GLY A 42 12.422 -0.661 1.756 1.00 0.00 C ATOM 272 C GLY A 42 11.240 -0.936 2.685 1.00 0.00 C ATOM 273 O GLY A 42 10.113 -0.548 2.380 1.00 0.00 O ATOM 0 H GLY A 42 11.103 -0.446 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.254 -1.321 2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.775 0.361 1.890 1.00 0.00 H new ATOM 277 N TYR A 43 11.466 -1.640 3.796 1.00 0.00 N ATOM 278 CA TYR A 43 10.443 -1.943 4.800 1.00 0.00 C ATOM 279 C TYR A 43 9.956 -0.627 5.410 1.00 0.00 C ATOM 280 O TYR A 43 10.761 0.268 5.681 1.00 0.00 O ATOM 281 CB TYR A 43 11.052 -2.890 5.857 1.00 0.00 C ATOM 282 CG TYR A 43 10.596 -2.689 7.292 1.00 0.00 C ATOM 283 CD1 TYR A 43 9.309 -3.094 7.686 1.00 0.00 C ATOM 284 CD2 TYR A 43 11.455 -2.081 8.232 1.00 0.00 C ATOM 285 CE1 TYR A 43 8.884 -2.882 9.006 1.00 0.00 C ATOM 286 CE2 TYR A 43 11.035 -1.888 9.562 1.00 0.00 C ATOM 287 CZ TYR A 43 9.736 -2.287 9.956 1.00 0.00 C ATOM 288 OH TYR A 43 9.289 -2.129 11.235 1.00 0.00 O ATOM 0 H TYR A 43 12.383 -2.023 4.028 1.00 0.00 H new ATOM 0 HA TYR A 43 9.583 -2.447 4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.824 -3.916 5.567 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.136 -2.783 5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.649 -3.567 6.974 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.441 -1.762 7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.888 -3.180 9.298 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.703 -1.436 10.280 1.00 0.00 H new ATOM 0 HH TYR A 43 9.988 -1.705 11.776 1.00 0.00 H new ATOM 298 N MET A 44 8.646 -0.506 5.630 1.00 0.00 N ATOM 299 CA MET A 44 8.036 0.696 6.196 1.00 0.00 C ATOM 300 C MET A 44 7.187 0.399 7.425 1.00 0.00 C ATOM 301 O MET A 44 7.189 1.209 8.354 1.00 0.00 O ATOM 302 CB MET A 44 7.228 1.427 5.111 1.00 0.00 C ATOM 303 CG MET A 44 8.159 2.127 4.118 1.00 0.00 C ATOM 304 SD MET A 44 9.050 3.548 4.810 1.00 0.00 S ATOM 305 CE MET A 44 10.087 3.940 3.379 1.00 0.00 C ATOM 0 H MET A 44 7.975 -1.245 5.419 1.00 0.00 H new ATOM 0 HA MET A 44 8.838 1.349 6.540 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.594 0.715 4.582 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.567 2.159 5.575 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.884 1.404 3.745 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.573 2.461 3.262 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.717 4.799 3.610 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.716 3.083 3.140 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.453 4.175 2.524 1.00 0.00 H new ATOM 315 N ALA A 45 6.455 -0.719 7.460 1.00 0.00 N ATOM 316 CA ALA A 45 5.695 -1.164 8.622 1.00 0.00 C ATOM 317 C ALA A 45 5.448 -2.663 8.492 1.00 0.00 C ATOM 318 O ALA A 45 5.418 -3.173 7.373 1.00 0.00 O ATOM 319 CB ALA A 45 4.360 -0.409 8.709 1.00 0.00 C ATOM 0 H ALA A 45 6.376 -1.350 6.662 1.00 0.00 H new ATOM 0 HA ALA A 45 6.257 -0.958 9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.804 -0.752 9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.552 0.660 8.799 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.775 -0.599 7.809 1.00 0.00 H new ATOM 325 N THR A 46 5.203 -3.348 9.603 1.00 0.00 N ATOM 326 CA THR A 46 4.793 -4.746 9.625 1.00 0.00 C ATOM 327 C THR A 46 3.513 -4.812 10.425 1.00 0.00 C ATOM 328 O THR A 46 3.417 -4.219 11.502 1.00 0.00 O ATOM 329 CB THR A 46 5.854 -5.639 10.270 1.00 0.00 C ATOM 330 OG1 THR A 46 7.109 -5.442 9.667 1.00 0.00 O ATOM 331 CG2 THR A 46 5.463 -7.111 10.129 1.00 0.00 C ATOM 0 H THR A 46 5.286 -2.938 10.533 1.00 0.00 H new ATOM 0 HA THR A 46 4.654 -5.107 8.606 1.00 0.00 H new ATOM 0 HB THR A 46 5.918 -5.372 11.325 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.773 -6.022 10.096 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.226 -7.736 10.592 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.506 -7.282 10.622 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.378 -7.365 9.072 1.00 0.00 H new ATOM 339 N ARG A 47 2.505 -5.484 9.884 1.00 0.00 N ATOM 340 CA ARG A 47 1.197 -5.618 10.506 1.00 0.00 C ATOM 341 C ARG A 47 0.431 -6.663 9.715 1.00 0.00 C ATOM 342 O ARG A 47 0.973 -7.286 8.795 1.00 0.00 O ATOM 343 CB ARG A 47 0.437 -4.264 10.610 1.00 0.00 C ATOM 344 CG ARG A 47 0.949 -3.072 9.769 1.00 0.00 C ATOM 345 CD ARG A 47 -0.156 -2.052 9.485 1.00 0.00 C ATOM 346 NE ARG A 47 -0.696 -1.461 10.719 1.00 0.00 N ATOM 347 CZ ARG A 47 -1.946 -1.547 11.189 1.00 0.00 C ATOM 348 NH1 ARG A 47 -2.900 -2.178 10.524 1.00 0.00 N ATOM 349 NH2 ARG A 47 -2.261 -0.975 12.335 1.00 0.00 N ATOM 0 H ARG A 47 2.576 -5.959 8.984 1.00 0.00 H new ATOM 0 HA ARG A 47 1.307 -5.940 11.542 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.602 -4.444 10.335 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.441 -3.959 11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.768 -2.582 10.296 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.353 -3.441 8.826 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.237 -1.261 8.847 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.962 -2.536 8.933 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.040 -0.922 11.284 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.692 -2.616 9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.843 -2.226 10.909 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.552 -0.467 12.863 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.214 -1.041 12.693 1.00 0.00 H new ATOM 363 N ASP A 48 -0.823 -6.876 10.084 1.00 0.00 N ATOM 364 CA ASP A 48 -1.767 -7.455 9.153 1.00 0.00 C ATOM 365 C ASP A 48 -2.225 -6.384 8.153 1.00 0.00 C ATOM 366 O ASP A 48 -2.184 -5.191 8.467 1.00 0.00 O ATOM 367 CB ASP A 48 -2.930 -8.129 9.891 1.00 0.00 C ATOM 368 CG ASP A 48 -4.069 -7.193 10.277 1.00 0.00 C ATOM 369 OD1 ASP A 48 -3.783 -6.112 10.836 1.00 0.00 O ATOM 370 OD2 ASP A 48 -5.249 -7.606 10.144 1.00 0.00 O ATOM 0 H ASP A 48 -1.202 -6.660 11.006 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.281 -8.247 8.583 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.329 -8.924 9.262 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.544 -8.601 10.795 1.00 0.00 H new ATOM 376 N VAL A 49 -2.655 -6.751 6.943 1.00 0.00 N ATOM 377 CA VAL A 49 -3.182 -5.812 5.981 1.00 0.00 C ATOM 378 C VAL A 49 -4.409 -6.518 5.446 1.00 0.00 C ATOM 379 O VAL A 49 -4.306 -7.583 4.832 1.00 0.00 O ATOM 380 CB VAL A 49 -2.118 -5.482 4.952 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.505 -4.392 3.976 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.747 -5.146 5.555 1.00 0.00 C ATOM 0 H VAL A 49 -2.642 -7.716 6.613 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.460 -4.836 6.378 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.035 -6.418 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.686 -4.222 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.395 -4.696 3.425 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.713 -3.472 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.042 -4.922 4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.840 -4.279 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.384 -5.998 6.130 1.00 0.00 H new ATOM 392 N THR A 50 -5.577 -5.990 5.786 1.00 0.00 N ATOM 393 CA THR A 50 -6.835 -6.483 5.260 1.00 0.00 C ATOM 394 C THR A 50 -6.834 -6.183 3.765 1.00 0.00 C ATOM 395 O THR A 50 -6.231 -5.201 3.352 1.00 0.00 O ATOM 396 CB THR A 50 -7.967 -5.860 6.086 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.637 -5.987 7.463 1.00 0.00 O ATOM 398 CG2 THR A 50 -9.318 -6.527 5.827 1.00 0.00 C ATOM 0 H THR A 50 -5.675 -5.208 6.434 1.00 0.00 H new ATOM 0 HA THR A 50 -6.983 -7.559 5.350 1.00 0.00 H new ATOM 0 HB THR A 50 -8.064 -4.814 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.067 -6.774 7.592 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.083 -6.047 6.437 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.578 -6.426 4.773 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.257 -7.584 6.086 1.00 0.00 H new ATOM 406 N PHE A 51 -7.420 -7.044 2.941 1.00 0.00 N ATOM 407 CA PHE A 51 -7.491 -6.889 1.505 1.00 0.00 C ATOM 408 C PHE A 51 -8.849 -7.407 1.077 1.00 0.00 C ATOM 409 O PHE A 51 -9.385 -8.321 1.716 1.00 0.00 O ATOM 410 CB PHE A 51 -6.369 -7.677 0.827 1.00 0.00 C ATOM 411 CG PHE A 51 -6.294 -9.128 1.256 1.00 0.00 C ATOM 412 CD1 PHE A 51 -7.012 -10.116 0.571 1.00 0.00 C ATOM 413 CD2 PHE A 51 -5.484 -9.505 2.335 1.00 0.00 C ATOM 414 CE1 PHE A 51 -6.829 -11.469 0.897 1.00 0.00 C ATOM 415 CE2 PHE A 51 -5.368 -10.859 2.688 1.00 0.00 C ATOM 416 CZ PHE A 51 -6.036 -11.847 1.976 1.00 0.00 C ATOM 0 H PHE A 51 -7.872 -7.896 3.272 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.368 -5.845 1.216 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.509 -7.634 -0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.416 -7.194 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.706 -9.837 -0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.948 -8.753 2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.312 -12.229 0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.749 -11.137 3.528 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.942 -12.886 2.254 1.00 0.00 H new ATOM 426 N ASN A 52 -9.378 -6.834 0.002 1.00 0.00 N ATOM 427 CA ASN A 52 -10.701 -7.126 -0.525 1.00 0.00 C ATOM 428 C ASN A 52 -10.551 -7.415 -2.015 1.00 0.00 C ATOM 429 O ASN A 52 -9.511 -7.151 -2.625 1.00 0.00 O ATOM 430 CB ASN A 52 -11.676 -5.971 -0.238 1.00 0.00 C ATOM 431 CG ASN A 52 -12.077 -5.804 1.227 1.00 0.00 C ATOM 432 OD1 ASN A 52 -13.225 -6.055 1.588 1.00 0.00 O ATOM 433 ND2 ASN A 52 -11.164 -5.369 2.084 1.00 0.00 N ATOM 0 H ASN A 52 -8.879 -6.131 -0.543 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.130 -8.000 -0.035 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -11.223 -5.041 -0.582 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.579 -6.124 -0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -11.408 -5.236 3.065 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.217 -5.167 1.762 1.00 0.00 H new ATOM 440 N THR A 53 -11.567 -8.046 -2.587 1.00 0.00 N ATOM 441 CA THR A 53 -11.604 -8.534 -3.956 1.00 0.00 C ATOM 442 C THR A 53 -11.606 -7.365 -4.950 1.00 0.00 C ATOM 443 O THR A 53 -12.465 -6.481 -4.898 1.00 0.00 O ATOM 444 CB THR A 53 -12.801 -9.504 -4.093 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.709 -9.408 -3.001 1.00 0.00 O ATOM 446 CG2 THR A 53 -12.312 -10.950 -4.225 1.00 0.00 C ATOM 0 H THR A 53 -12.431 -8.241 -2.082 1.00 0.00 H new ATOM 0 HA THR A 53 -10.705 -9.098 -4.202 1.00 0.00 H new ATOM 0 HB THR A 53 -13.335 -9.211 -4.997 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.448 -10.038 -3.134 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.169 -11.617 -4.320 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.681 -11.041 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.737 -11.222 -3.340 1.00 0.00 H new ATOM 454 N GLY A 54 -10.603 -7.336 -5.821 1.00 0.00 N ATOM 455 CA GLY A 54 -10.360 -6.322 -6.831 1.00 0.00 C ATOM 456 C GLY A 54 -9.539 -6.958 -7.920 1.00 0.00 C ATOM 457 O GLY A 54 -9.961 -7.956 -8.508 1.00 0.00 O ATOM 0 H GLY A 54 -9.894 -8.069 -5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.301 -5.945 -7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.833 -5.470 -6.401 1.00 0.00 H new ATOM 461 N ASP A 55 -8.378 -6.390 -8.202 1.00 0.00 N ATOM 462 CA ASP A 55 -7.596 -6.736 -9.370 1.00 0.00 C ATOM 463 C ASP A 55 -6.138 -6.392 -9.100 1.00 0.00 C ATOM 464 O ASP A 55 -5.841 -5.353 -8.514 1.00 0.00 O ATOM 465 CB ASP A 55 -8.179 -6.038 -10.611 1.00 0.00 C ATOM 466 CG ASP A 55 -8.599 -4.566 -10.487 1.00 0.00 C ATOM 467 OD1 ASP A 55 -9.735 -4.255 -10.923 1.00 0.00 O ATOM 468 OD2 ASP A 55 -7.855 -3.709 -9.957 1.00 0.00 O ATOM 0 H ASP A 55 -7.951 -5.670 -7.619 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.641 -7.805 -9.577 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.440 -6.107 -11.409 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.051 -6.607 -10.934 1.00 0.00 H new ATOM 474 N SER A 56 -5.253 -7.329 -9.437 1.00 0.00 N ATOM 475 CA SER A 56 -3.805 -7.425 -9.239 1.00 0.00 C ATOM 476 C SER A 56 -3.422 -8.875 -9.549 1.00 0.00 C ATOM 477 O SER A 56 -4.297 -9.681 -9.892 1.00 0.00 O ATOM 478 CB SER A 56 -3.376 -7.032 -7.810 1.00 0.00 C ATOM 479 OG SER A 56 -3.463 -5.631 -7.663 1.00 0.00 O ATOM 0 H SER A 56 -5.585 -8.160 -9.927 1.00 0.00 H new ATOM 0 HA SER A 56 -3.290 -6.725 -9.897 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.015 -7.526 -7.078 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.356 -7.366 -7.620 1.00 0.00 H new ATOM 0 HG SER A 56 -4.405 -5.360 -7.658 1.00 0.00 H new ATOM 485 N GLU A 57 -2.138 -9.207 -9.378 1.00 0.00 N ATOM 486 CA GLU A 57 -1.555 -10.538 -9.488 1.00 0.00 C ATOM 487 C GLU A 57 -2.493 -11.615 -8.945 1.00 0.00 C ATOM 488 O GLU A 57 -2.757 -12.591 -9.646 1.00 0.00 O ATOM 489 CB GLU A 57 -0.232 -10.572 -8.707 1.00 0.00 C ATOM 490 CG GLU A 57 1.002 -10.113 -9.499 1.00 0.00 C ATOM 491 CD GLU A 57 1.851 -11.323 -9.904 1.00 0.00 C ATOM 492 OE1 GLU A 57 2.429 -11.983 -9.004 1.00 0.00 O ATOM 493 OE2 GLU A 57 1.898 -11.673 -11.108 1.00 0.00 O ATOM 0 H GLU A 57 -1.437 -8.504 -9.144 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.383 -10.748 -10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.333 -9.942 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.061 -11.589 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.690 -9.565 -10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.597 -9.428 -8.895 1.00 0.00 H new ATOM 501 N GLN A 58 -2.967 -11.412 -7.712 1.00 0.00 N ATOM 502 CA GLN A 58 -3.725 -12.392 -6.936 1.00 0.00 C ATOM 503 C GLN A 58 -5.220 -12.043 -6.820 1.00 0.00 C ATOM 504 O GLN A 58 -5.988 -12.802 -6.222 1.00 0.00 O ATOM 505 CB GLN A 58 -3.087 -12.615 -5.547 1.00 0.00 C ATOM 506 CG GLN A 58 -1.757 -11.899 -5.238 1.00 0.00 C ATOM 507 CD GLN A 58 -1.951 -10.402 -4.974 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.973 -9.569 -5.874 1.00 0.00 O ATOM 509 NE2 GLN A 58 -2.149 -10.023 -3.731 1.00 0.00 N ATOM 0 H GLN A 58 -2.828 -10.533 -7.213 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.676 -13.330 -7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.813 -12.310 -4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.927 -13.686 -5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.291 -12.362 -4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.072 -12.032 -6.075 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.132 -10.712 -2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.320 -9.040 -3.519 1.00 0.00 H new ATOM 518 N GLY A 59 -5.648 -10.918 -7.394 1.00 0.00 N ATOM 519 CA GLY A 59 -7.051 -10.564 -7.547 1.00 0.00 C ATOM 520 C GLY A 59 -7.627 -9.774 -6.375 1.00 0.00 C ATOM 521 O GLY A 59 -8.832 -9.558 -6.283 1.00 0.00 O ATOM 0 H GLY A 59 -5.012 -10.216 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.169 -9.978 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.633 -11.477 -7.677 1.00 0.00 H new ATOM 525 N ILE A 60 -6.784 -9.334 -5.453 1.00 0.00 N ATOM 526 CA ILE A 60 -7.172 -8.719 -4.194 1.00 0.00 C ATOM 527 C ILE A 60 -6.239 -7.544 -3.965 1.00 0.00 C ATOM 528 O ILE A 60 -5.048 -7.663 -4.268 1.00 0.00 O ATOM 529 CB ILE A 60 -7.059 -9.749 -3.043 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.810 -10.651 -3.205 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.332 -10.616 -2.972 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.391 -11.374 -1.934 1.00 0.00 C ATOM 0 H ILE A 60 -5.772 -9.398 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.207 -8.379 -4.225 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.952 -9.192 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.008 -11.390 -3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.977 -10.040 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.238 -11.335 -2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.197 -9.978 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.462 -11.149 -3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.510 -11.983 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.158 -10.643 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.205 -12.015 -1.595 1.00 0.00 H new ATOM 544 N VAL A 61 -6.725 -6.457 -3.362 1.00 0.00 N ATOM 545 CA VAL A 61 -5.885 -5.303 -3.053 1.00 0.00 C ATOM 546 C VAL A 61 -6.046 -4.881 -1.584 1.00 0.00 C ATOM 547 O VAL A 61 -7.163 -4.929 -1.061 1.00 0.00 O ATOM 548 CB VAL A 61 -6.103 -4.165 -4.067 1.00 0.00 C ATOM 549 CG1 VAL A 61 -5.836 -4.657 -5.493 1.00 0.00 C ATOM 550 CG2 VAL A 61 -7.492 -3.531 -4.028 1.00 0.00 C ATOM 0 H VAL A 61 -7.699 -6.354 -3.078 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.839 -5.588 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.393 -3.393 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.995 -3.839 -6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.807 -5.007 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.516 -5.475 -5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.552 -2.740 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.245 -4.290 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.672 -3.109 -3.039 1.00 0.00 H new ATOM 560 N PRO A 62 -4.950 -4.490 -0.905 1.00 0.00 N ATOM 561 CA PRO A 62 -4.938 -4.136 0.514 1.00 0.00 C ATOM 562 C PRO A 62 -5.709 -2.852 0.824 1.00 0.00 C ATOM 563 O PRO A 62 -5.750 -1.899 0.040 1.00 0.00 O ATOM 564 CB PRO A 62 -3.467 -4.036 0.890 1.00 0.00 C ATOM 565 CG PRO A 62 -2.732 -3.783 -0.408 1.00 0.00 C ATOM 566 CD PRO A 62 -3.606 -4.429 -1.462 1.00 0.00 C ATOM 0 HA PRO A 62 -5.455 -4.891 1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.298 -3.227 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.120 -4.954 1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.607 -2.716 -0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.735 -4.223 -0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.594 -3.848 -2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.243 -5.427 -1.709 1.00 0.00 H new ATOM 574 N CYS A 63 -6.252 -2.830 2.040 1.00 0.00 N ATOM 575 CA CYS A 63 -6.683 -1.681 2.802 1.00 0.00 C ATOM 576 C CYS A 63 -5.413 -0.886 3.081 1.00 0.00 C ATOM 577 O CYS A 63 -4.555 -1.355 3.832 1.00 0.00 O ATOM 578 CB CYS A 63 -7.320 -2.124 4.129 1.00 0.00 C ATOM 579 SG CYS A 63 -8.976 -2.859 4.039 1.00 0.00 S ATOM 0 H CYS A 63 -6.411 -3.697 2.554 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.429 -1.097 2.263 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.654 -2.846 4.601 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.369 -1.257 4.788 1.00 0.00 H new ATOM 0 HG CYS A 63 -9.763 -2.075 3.364 1.00 0.00 H new ATOM 585 N LEU A 64 -5.257 0.279 2.456 1.00 0.00 N ATOM 586 CA LEU A 64 -4.163 1.195 2.743 1.00 0.00 C ATOM 587 C LEU A 64 -4.824 2.530 2.982 1.00 0.00 C ATOM 588 O LEU A 64 -5.464 3.068 2.082 1.00 0.00 O ATOM 589 CB LEU A 64 -3.158 1.285 1.593 1.00 0.00 C ATOM 590 CG LEU A 64 -2.432 -0.033 1.285 1.00 0.00 C ATOM 591 CD1 LEU A 64 -1.854 0.002 -0.134 1.00 0.00 C ATOM 592 CD2 LEU A 64 -1.310 -0.311 2.295 1.00 0.00 C ATOM 0 H LEU A 64 -5.892 0.613 1.732 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.584 0.854 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.679 1.618 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.417 2.047 1.832 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.163 -0.838 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.342 -0.937 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.662 0.141 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.147 0.827 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.820 -1.252 2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.581 0.499 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.732 -0.378 3.298 1.00 0.00 H new ATOM 604 N THR A 65 -4.745 3.012 4.211 1.00 0.00 N ATOM 605 CA THR A 65 -5.512 4.167 4.642 1.00 0.00 C ATOM 606 C THR A 65 -4.721 5.430 4.319 1.00 0.00 C ATOM 607 O THR A 65 -3.534 5.354 3.970 1.00 0.00 O ATOM 608 CB THR A 65 -5.866 4.020 6.130 1.00 0.00 C ATOM 609 OG1 THR A 65 -4.754 4.359 6.930 1.00 0.00 O ATOM 610 CG2 THR A 65 -6.323 2.600 6.501 1.00 0.00 C ATOM 0 H THR A 65 -4.148 2.614 4.936 1.00 0.00 H new ATOM 0 HA THR A 65 -6.460 4.240 4.108 1.00 0.00 H new ATOM 0 HB THR A 65 -6.699 4.699 6.315 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.065 4.706 7.792 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.559 2.560 7.564 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.210 2.340 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.525 1.891 6.279 1.00 0.00 H new ATOM 618 N ARG A 66 -5.327 6.612 4.485 1.00 0.00 N ATOM 619 CA ARG A 66 -4.548 7.836 4.353 1.00 0.00 C ATOM 620 C ARG A 66 -3.377 7.835 5.324 1.00 0.00 C ATOM 621 O ARG A 66 -2.268 8.187 4.916 1.00 0.00 O ATOM 622 CB ARG A 66 -5.431 9.073 4.539 1.00 0.00 C ATOM 623 CG ARG A 66 -4.574 10.331 4.329 1.00 0.00 C ATOM 624 CD ARG A 66 -5.342 11.491 3.690 1.00 0.00 C ATOM 625 NE ARG A 66 -5.199 12.736 4.468 1.00 0.00 N ATOM 626 CZ ARG A 66 -6.167 13.394 5.122 1.00 0.00 C ATOM 627 NH1 ARG A 66 -7.419 12.952 5.165 1.00 0.00 N ATOM 628 NH2 ARG A 66 -5.874 14.543 5.727 1.00 0.00 N ATOM 0 H ARG A 66 -6.315 6.741 4.702 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.142 7.875 3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.257 9.057 3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.869 9.077 5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.176 10.655 5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.721 10.079 3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.978 11.653 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.397 11.230 3.613 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.263 13.140 4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.670 12.085 4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.129 13.480 5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.924 14.911 5.689 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.600 15.055 6.228 1.00 0.00 H new ATOM 642 N ALA A 67 -3.626 7.432 6.576 1.00 0.00 N ATOM 643 CA ALA A 67 -2.571 7.414 7.565 1.00 0.00 C ATOM 644 C ALA A 67 -1.468 6.468 7.116 1.00 0.00 C ATOM 645 O ALA A 67 -0.318 6.884 7.070 1.00 0.00 O ATOM 646 CB ALA A 67 -3.070 7.020 8.955 1.00 0.00 C ATOM 0 H ALA A 67 -4.537 7.121 6.913 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.184 8.430 7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.235 7.023 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.825 7.733 9.286 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.506 6.022 8.916 1.00 0.00 H new ATOM 652 N GLN A 68 -1.813 5.227 6.762 1.00 0.00 N ATOM 653 CA GLN A 68 -0.866 4.171 6.416 1.00 0.00 C ATOM 654 C GLN A 68 0.074 4.601 5.293 1.00 0.00 C ATOM 655 O GLN A 68 1.278 4.375 5.362 1.00 0.00 O ATOM 656 CB GLN A 68 -1.654 2.935 5.966 1.00 0.00 C ATOM 657 CG GLN A 68 -2.463 2.284 7.093 1.00 0.00 C ATOM 658 CD GLN A 68 -1.668 1.359 7.994 1.00 0.00 C ATOM 659 OE1 GLN A 68 -0.476 1.542 8.247 1.00 0.00 O ATOM 660 NE2 GLN A 68 -2.307 0.322 8.482 1.00 0.00 N ATOM 0 H GLN A 68 -2.785 4.924 6.708 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.260 3.950 7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.331 3.219 5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.960 2.201 5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.907 3.070 7.704 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.285 1.721 6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.294 0.182 8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.817 -0.344 9.079 1.00 0.00 H new ATOM 669 N LEU A 69 -0.465 5.217 4.241 1.00 0.00 N ATOM 670 CA LEU A 69 0.356 5.681 3.131 1.00 0.00 C ATOM 671 C LEU A 69 1.261 6.814 3.593 1.00 0.00 C ATOM 672 O LEU A 69 2.468 6.782 3.349 1.00 0.00 O ATOM 673 CB LEU A 69 -0.522 6.122 1.958 1.00 0.00 C ATOM 674 CG LEU A 69 -1.429 4.993 1.457 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.494 5.566 0.525 1.00 0.00 C ATOM 676 CD2 LEU A 69 -0.660 3.872 0.778 1.00 0.00 C ATOM 0 H LEU A 69 -1.462 5.404 4.137 1.00 0.00 H new ATOM 0 HA LEU A 69 0.982 4.858 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.135 6.970 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.112 6.466 1.141 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.907 4.546 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.138 4.761 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.094 6.299 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.012 6.047 -0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.357 3.103 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.121 4.270 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.050 3.439 1.483 1.00 0.00 H new ATOM 688 N ALA A 70 0.701 7.800 4.296 1.00 0.00 N ATOM 689 CA ALA A 70 1.488 8.877 4.869 1.00 0.00 C ATOM 690 C ALA A 70 2.537 8.350 5.860 1.00 0.00 C ATOM 691 O ALA A 70 3.557 9.013 6.043 1.00 0.00 O ATOM 692 CB ALA A 70 0.563 9.896 5.531 1.00 0.00 C ATOM 0 H ALA A 70 -0.300 7.869 4.479 1.00 0.00 H new ATOM 0 HA ALA A 70 2.035 9.368 4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.158 10.703 5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.120 10.305 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.010 9.409 6.320 1.00 0.00 H new ATOM 698 N SER A 71 2.352 7.157 6.440 1.00 0.00 N ATOM 699 CA SER A 71 3.335 6.593 7.368 1.00 0.00 C ATOM 700 C SER A 71 4.609 6.179 6.630 1.00 0.00 C ATOM 701 O SER A 71 5.701 6.283 7.184 1.00 0.00 O ATOM 702 CB SER A 71 2.759 5.408 8.149 1.00 0.00 C ATOM 703 OG SER A 71 1.771 5.812 9.076 1.00 0.00 O ATOM 0 H SER A 71 1.534 6.568 6.283 1.00 0.00 H new ATOM 0 HA SER A 71 3.588 7.373 8.085 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.329 4.689 7.451 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.564 4.897 8.677 1.00 0.00 H new ATOM 0 HG SER A 71 1.007 6.192 8.595 1.00 0.00 H new ATOM 709 N MET A 72 4.485 5.772 5.365 1.00 0.00 N ATOM 710 CA MET A 72 5.615 5.511 4.473 1.00 0.00 C ATOM 711 C MET A 72 6.212 6.824 3.964 1.00 0.00 C ATOM 712 O MET A 72 7.201 6.804 3.240 1.00 0.00 O ATOM 713 CB MET A 72 5.209 4.663 3.253 1.00 0.00 C ATOM 714 CG MET A 72 3.914 3.887 3.367 1.00 0.00 C ATOM 715 SD MET A 72 3.938 2.264 2.599 1.00 0.00 S ATOM 716 CE MET A 72 2.179 2.289 2.259 1.00 0.00 C ATOM 0 H MET A 72 3.579 5.612 4.924 1.00 0.00 H new ATOM 0 HA MET A 72 6.349 4.958 5.059 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.136 5.323 2.389 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.013 3.956 3.047 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.669 3.770 4.423 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.114 4.475 2.917 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.825 1.271 2.099 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.651 2.728 3.106 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.990 2.884 1.365 1.00 0.00 H new ATOM 726 N GLY A 73 5.582 7.962 4.267 1.00 0.00 N ATOM 727 CA GLY A 73 5.967 9.269 3.786 1.00 0.00 C ATOM 728 C GLY A 73 5.155 9.725 2.585 1.00 0.00 C ATOM 729 O GLY A 73 5.498 10.775 2.050 1.00 0.00 O ATOM 0 H GLY A 73 4.764 7.988 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.852 9.994 4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.024 9.254 3.518 1.00 0.00 H new ATOM 733 N LEU A 74 4.115 9.003 2.128 1.00 0.00 N ATOM 734 CA LEU A 74 3.392 9.416 0.921 1.00 0.00 C ATOM 735 C LEU A 74 2.906 10.873 1.060 1.00 0.00 C ATOM 736 O LEU A 74 2.346 11.251 2.091 1.00 0.00 O ATOM 737 CB LEU A 74 2.266 8.450 0.512 1.00 0.00 C ATOM 738 CG LEU A 74 1.225 9.094 -0.442 1.00 0.00 C ATOM 739 CD1 LEU A 74 0.914 8.299 -1.695 1.00 0.00 C ATOM 740 CD2 LEU A 74 -0.042 9.422 0.337 1.00 0.00 C ATOM 0 H LEU A 74 3.766 8.151 2.567 1.00 0.00 H new ATOM 0 HA LEU A 74 4.100 9.371 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.703 7.577 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.757 8.095 1.408 1.00 0.00 H new ATOM 0 HG LEU A 74 1.687 10.006 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.177 8.835 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.826 8.166 -2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.516 7.323 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.774 9.874 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.455 8.507 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.195 10.120 1.140 1.00 0.00 H new ATOM 752 N ASN A 75 3.104 11.685 0.016 1.00 0.00 N ATOM 753 CA ASN A 75 2.563 13.035 -0.090 1.00 0.00 C ATOM 754 C ASN A 75 1.119 13.017 -0.604 1.00 0.00 C ATOM 755 O ASN A 75 0.884 13.022 -1.814 1.00 0.00 O ATOM 756 CB ASN A 75 3.428 13.894 -1.024 1.00 0.00 C ATOM 757 CG ASN A 75 3.350 15.355 -0.626 1.00 0.00 C ATOM 758 OD1 ASN A 75 3.610 15.693 0.526 1.00 0.00 O ATOM 759 ND2 ASN A 75 3.004 16.241 -1.535 1.00 0.00 N ATOM 0 H ASN A 75 3.658 11.411 -0.795 1.00 0.00 H new ATOM 0 HA ASN A 75 2.572 13.469 0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.463 13.555 -0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.092 13.773 -2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.948 17.229 -1.289 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.792 15.940 -2.486 1.00 0.00 H new ATOM 766 N THR A 76 0.123 13.026 0.280 1.00 0.00 N ATOM 767 CA THR A 76 -1.283 13.089 -0.125 1.00 0.00 C ATOM 768 C THR A 76 -1.608 14.377 -0.891 1.00 0.00 C ATOM 769 O THR A 76 -2.529 14.387 -1.710 1.00 0.00 O ATOM 770 CB THR A 76 -2.155 12.982 1.142 1.00 0.00 C ATOM 771 OG1 THR A 76 -1.782 13.959 2.097 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.008 11.651 1.870 1.00 0.00 C ATOM 0 H THR A 76 0.264 12.990 1.290 1.00 0.00 H new ATOM 0 HA THR A 76 -1.490 12.263 -0.805 1.00 0.00 H new ATOM 0 HB THR A 76 -3.175 13.108 0.778 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.349 13.873 2.891 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.650 11.645 2.751 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.299 10.838 1.204 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.970 11.516 2.176 1.00 0.00 H new ATOM 780 N ALA A 77 -0.855 15.462 -0.675 1.00 0.00 N ATOM 781 CA ALA A 77 -1.082 16.695 -1.408 1.00 0.00 C ATOM 782 C ALA A 77 -0.766 16.537 -2.896 1.00 0.00 C ATOM 783 O ALA A 77 -1.377 17.238 -3.698 1.00 0.00 O ATOM 784 CB ALA A 77 -0.265 17.836 -0.807 1.00 0.00 C ATOM 0 H ALA A 77 -0.090 15.503 -0.001 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.141 16.937 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.449 18.751 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.557 17.985 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.795 17.588 -0.854 1.00 0.00 H new ATOM 790 N SER A 78 0.135 15.629 -3.296 1.00 0.00 N ATOM 791 CA SER A 78 0.528 15.523 -4.700 1.00 0.00 C ATOM 792 C SER A 78 -0.611 15.035 -5.591 1.00 0.00 C ATOM 793 O SER A 78 -0.582 15.245 -6.803 1.00 0.00 O ATOM 794 CB SER A 78 1.720 14.580 -4.840 1.00 0.00 C ATOM 795 OG SER A 78 2.818 15.088 -4.125 1.00 0.00 O ATOM 0 H SER A 78 0.598 14.967 -2.673 1.00 0.00 H new ATOM 0 HA SER A 78 0.799 16.526 -5.030 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.458 13.590 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.982 14.464 -5.892 1.00 0.00 H new ATOM 0 HG SER A 78 3.650 14.790 -4.548 1.00 0.00 H new ATOM 801 N VAL A 79 -1.610 14.386 -5.002 1.00 0.00 N ATOM 802 CA VAL A 79 -2.634 13.645 -5.683 1.00 0.00 C ATOM 803 C VAL A 79 -3.946 14.277 -5.248 1.00 0.00 C ATOM 804 O VAL A 79 -4.418 14.014 -4.143 1.00 0.00 O ATOM 805 CB VAL A 79 -2.361 12.165 -5.357 1.00 0.00 C ATOM 806 CG1 VAL A 79 -1.730 11.830 -3.991 1.00 0.00 C ATOM 807 CG2 VAL A 79 -3.506 11.232 -5.747 1.00 0.00 C ATOM 0 H VAL A 79 -1.721 14.369 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.665 13.678 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.530 11.951 -6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.598 10.751 -3.906 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.761 12.322 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.384 12.180 -3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.244 10.206 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.410 11.522 -5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.682 11.301 -6.820 1.00 0.00 H new ATOM 817 N ALA A 80 -4.429 15.235 -6.052 1.00 0.00 N ATOM 818 CA ALA A 80 -5.421 16.244 -5.695 1.00 0.00 C ATOM 819 C ALA A 80 -6.807 15.636 -5.447 1.00 0.00 C ATOM 820 O ALA A 80 -7.694 15.683 -6.301 1.00 0.00 O ATOM 821 CB ALA A 80 -5.450 17.335 -6.777 1.00 0.00 C ATOM 0 H ALA A 80 -4.118 15.327 -7.019 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.129 16.699 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.190 18.090 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.467 17.801 -6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.713 16.889 -7.736 1.00 0.00 H new ATOM 827 N GLY A 81 -7.016 15.089 -4.252 1.00 0.00 N ATOM 828 CA GLY A 81 -8.135 14.204 -3.944 1.00 0.00 C ATOM 829 C GLY A 81 -7.726 13.035 -3.060 1.00 0.00 C ATOM 830 O GLY A 81 -8.539 12.152 -2.820 1.00 0.00 O ATOM 0 H GLY A 81 -6.400 15.252 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.919 14.775 -3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.559 13.822 -4.873 1.00 0.00 H new ATOM 834 N MET A 82 -6.504 13.013 -2.521 1.00 0.00 N ATOM 835 CA MET A 82 -6.143 12.062 -1.482 1.00 0.00 C ATOM 836 C MET A 82 -6.311 12.648 -0.091 1.00 0.00 C ATOM 837 O MET A 82 -6.631 11.912 0.839 1.00 0.00 O ATOM 838 CB MET A 82 -4.709 11.603 -1.670 1.00 0.00 C ATOM 839 CG MET A 82 -4.471 10.362 -0.804 1.00 0.00 C ATOM 840 SD MET A 82 -2.985 9.450 -1.230 1.00 0.00 S ATOM 841 CE MET A 82 -3.518 8.875 -2.848 1.00 0.00 C ATOM 0 H MET A 82 -5.752 13.646 -2.792 1.00 0.00 H new ATOM 0 HA MET A 82 -6.819 11.212 -1.571 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.521 11.373 -2.719 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.018 12.398 -1.389 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.411 10.667 0.241 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.331 9.698 -0.894 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.810 8.136 -3.223 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.506 8.422 -2.766 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.562 9.718 -3.538 1.00 0.00 H new ATOM 851 N ASN A 83 -6.111 13.959 0.077 1.00 0.00 N ATOM 852 CA ASN A 83 -6.099 14.601 1.393 1.00 0.00 C ATOM 853 C ASN A 83 -7.454 14.589 2.110 1.00 0.00 C ATOM 854 O ASN A 83 -7.572 15.215 3.157 1.00 0.00 O ATOM 855 CB ASN A 83 -5.521 16.024 1.313 1.00 0.00 C ATOM 856 CG ASN A 83 -6.509 17.105 0.883 1.00 0.00 C ATOM 857 OD1 ASN A 83 -7.291 17.619 1.680 1.00 0.00 O ATOM 858 ND2 ASN A 83 -6.455 17.520 -0.367 1.00 0.00 N ATOM 0 H ASN A 83 -5.953 14.604 -0.697 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.440 13.990 2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.118 16.291 2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.685 16.020 0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.066 18.274 -0.681 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.803 17.087 -1.020 1.00 0.00 H new ATOM 865 N LEU A 84 -8.470 13.904 1.579 1.00 0.00 N ATOM 866 CA LEU A 84 -9.833 13.877 2.080 1.00 0.00 C ATOM 867 C LEU A 84 -10.310 12.438 2.318 1.00 0.00 C ATOM 868 O LEU A 84 -11.467 12.232 2.689 1.00 0.00 O ATOM 869 CB LEU A 84 -10.789 14.684 1.185 1.00 0.00 C ATOM 870 CG LEU A 84 -10.565 14.693 -0.329 1.00 0.00 C ATOM 871 CD1 LEU A 84 -9.330 15.515 -0.708 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.543 13.287 -0.919 1.00 0.00 C ATOM 0 H LEU A 84 -8.351 13.327 0.747 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.841 14.373 3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.798 14.314 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.763 15.719 1.527 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.423 15.191 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.201 15.500 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.461 16.544 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.448 15.087 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.381 13.347 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.737 12.713 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.495 12.795 -0.722 1.00 0.00 H new ATOM 884 N LEU A 85 -9.427 11.450 2.138 1.00 0.00 N ATOM 885 CA LEU A 85 -9.685 10.055 2.476 1.00 0.00 C ATOM 886 C LEU A 85 -9.501 9.892 3.980 1.00 0.00 C ATOM 887 O LEU A 85 -8.628 10.537 4.562 1.00 0.00 O ATOM 888 CB LEU A 85 -8.632 9.157 1.816 1.00 0.00 C ATOM 889 CG LEU A 85 -8.896 8.712 0.375 1.00 0.00 C ATOM 890 CD1 LEU A 85 -9.957 7.616 0.271 1.00 0.00 C ATOM 891 CD2 LEU A 85 -9.213 9.801 -0.625 1.00 0.00 C ATOM 0 H LEU A 85 -8.498 11.605 1.746 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.688 9.786 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.678 9.683 1.838 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.517 8.264 2.430 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.919 8.319 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.098 7.344 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.632 6.740 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.899 7.981 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.379 9.357 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.111 10.333 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.378 10.499 -0.680 1.00 0.00 H new ATOM 903 N ALA A 86 -10.285 9.002 4.584 1.00 0.00 N ATOM 904 CA ALA A 86 -10.236 8.747 6.012 1.00 0.00 C ATOM 905 C ALA A 86 -8.971 7.992 6.429 1.00 0.00 C ATOM 906 O ALA A 86 -8.279 7.356 5.623 1.00 0.00 O ATOM 907 CB ALA A 86 -11.493 7.979 6.426 1.00 0.00 C ATOM 0 H ALA A 86 -10.975 8.437 4.089 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.202 9.706 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.463 7.784 7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.376 8.572 6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.536 7.033 5.886 1.00 0.00 H new ATOM 913 N ASP A 87 -8.741 7.995 7.742 1.00 0.00 N ATOM 914 CA ASP A 87 -7.646 7.324 8.437 1.00 0.00 C ATOM 915 C ASP A 87 -7.849 5.817 8.488 1.00 0.00 C ATOM 916 O ASP A 87 -6.918 5.100 8.835 1.00 0.00 O ATOM 917 CB ASP A 87 -7.500 7.853 9.869 1.00 0.00 C ATOM 918 CG ASP A 87 -7.176 9.335 9.868 1.00 0.00 C ATOM 919 OD1 ASP A 87 -8.115 10.154 10.024 1.00 0.00 O ATOM 920 OD2 ASP A 87 -6.019 9.704 9.571 1.00 0.00 O ATOM 0 H ASP A 87 -9.352 8.497 8.386 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.739 7.538 7.872 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.423 7.679 10.421 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.712 7.305 10.385 1.00 0.00 H new ATOM 926 N ASP A 88 -9.018 5.318 8.089 1.00 0.00 N ATOM 927 CA ASP A 88 -9.340 3.900 7.969 1.00 0.00 C ATOM 928 C ASP A 88 -10.017 3.677 6.611 1.00 0.00 C ATOM 929 O ASP A 88 -10.995 2.938 6.504 1.00 0.00 O ATOM 930 CB ASP A 88 -10.215 3.470 9.162 1.00 0.00 C ATOM 931 CG ASP A 88 -9.393 3.016 10.366 1.00 0.00 C ATOM 932 OD1 ASP A 88 -9.235 3.817 11.317 1.00 0.00 O ATOM 933 OD2 ASP A 88 -8.883 1.869 10.358 1.00 0.00 O ATOM 0 H ASP A 88 -9.800 5.919 7.829 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.445 3.279 8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.854 4.303 9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.873 2.659 8.850 1.00 0.00 H new ATOM 939 N ALA A 89 -9.551 4.355 5.554 1.00 0.00 N ATOM 940 CA ALA A 89 -10.105 4.225 4.202 1.00 0.00 C ATOM 941 C ALA A 89 -9.380 3.153 3.382 1.00 0.00 C ATOM 942 O ALA A 89 -8.264 2.765 3.715 1.00 0.00 O ATOM 943 CB ALA A 89 -10.020 5.572 3.485 1.00 0.00 C ATOM 0 H ALA A 89 -8.774 5.013 5.614 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.146 3.915 4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.432 5.476 2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.590 6.317 4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.978 5.885 3.422 1.00 0.00 H new ATOM 949 N CYS A 90 -9.961 2.748 2.252 1.00 0.00 N ATOM 950 CA CYS A 90 -9.309 1.886 1.263 1.00 0.00 C ATOM 951 C CYS A 90 -8.841 2.736 0.074 1.00 0.00 C ATOM 952 O CYS A 90 -9.280 2.513 -1.057 1.00 0.00 O ATOM 953 CB CYS A 90 -10.268 0.768 0.828 1.00 0.00 C ATOM 954 SG CYS A 90 -10.737 -0.401 2.129 1.00 0.00 S ATOM 0 H CYS A 90 -10.911 3.013 1.994 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.432 1.411 1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.174 1.224 0.429 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.805 0.212 0.013 1.00 0.00 H new ATOM 0 HG CYS A 90 -11.547 -1.292 1.640 1.00 0.00 H new ATOM 960 N VAL A 91 -7.977 3.725 0.323 1.00 0.00 N ATOM 961 CA VAL A 91 -7.454 4.656 -0.664 1.00 0.00 C ATOM 962 C VAL A 91 -7.027 3.914 -1.949 1.00 0.00 C ATOM 963 O VAL A 91 -6.350 2.886 -1.866 1.00 0.00 O ATOM 964 CB VAL A 91 -6.260 5.426 -0.061 1.00 0.00 C ATOM 965 CG1 VAL A 91 -5.829 6.571 -0.989 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.539 6.005 1.338 1.00 0.00 C ATOM 0 H VAL A 91 -7.612 3.900 1.259 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.239 5.363 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.463 4.690 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.986 7.101 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.533 6.164 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.661 7.262 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.655 6.532 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.378 6.699 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.782 5.195 2.025 1.00 0.00 H new ATOM 976 N PRO A 92 -7.368 4.429 -3.145 1.00 0.00 N ATOM 977 CA PRO A 92 -7.012 3.830 -4.432 1.00 0.00 C ATOM 978 C PRO A 92 -5.513 3.990 -4.747 1.00 0.00 C ATOM 979 O PRO A 92 -5.121 4.751 -5.636 1.00 0.00 O ATOM 980 CB PRO A 92 -7.913 4.543 -5.445 1.00 0.00 C ATOM 981 CG PRO A 92 -8.114 5.907 -4.823 1.00 0.00 C ATOM 982 CD PRO A 92 -8.241 5.575 -3.351 1.00 0.00 C ATOM 0 HA PRO A 92 -7.168 2.751 -4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.442 4.612 -6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.859 4.019 -5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.272 6.571 -5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.006 6.401 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.939 6.418 -2.729 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.272 5.338 -3.088 1.00 0.00 H new ATOM 990 N LEU A 93 -4.650 3.276 -4.024 1.00 0.00 N ATOM 991 CA LEU A 93 -3.192 3.322 -4.180 1.00 0.00 C ATOM 992 C LEU A 93 -2.717 2.778 -5.526 1.00 0.00 C ATOM 993 O LEU A 93 -1.616 3.096 -5.952 1.00 0.00 O ATOM 994 CB LEU A 93 -2.554 2.623 -2.967 1.00 0.00 C ATOM 995 CG LEU A 93 -1.042 2.820 -2.718 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.173 1.710 -3.280 1.00 0.00 C ATOM 997 CD2 LEU A 93 -0.464 4.198 -3.054 1.00 0.00 C ATOM 0 H LEU A 93 -4.952 2.632 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.861 4.360 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.084 2.957 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.738 1.553 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.000 2.761 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.874 1.923 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.453 0.761 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.315 1.648 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.604 4.208 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.620 4.410 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.964 4.958 -2.454 1.00 0.00 H new ATOM 1009 N THR A 94 -3.569 2.059 -6.243 1.00 0.00 N ATOM 1010 CA THR A 94 -3.244 1.466 -7.529 1.00 0.00 C ATOM 1011 C THR A 94 -4.196 1.955 -8.630 1.00 0.00 C ATOM 1012 O THR A 94 -4.298 1.351 -9.700 1.00 0.00 O ATOM 1013 CB THR A 94 -3.130 -0.049 -7.309 1.00 0.00 C ATOM 1014 OG1 THR A 94 -4.210 -0.530 -6.518 1.00 0.00 O ATOM 1015 CG2 THR A 94 -1.863 -0.328 -6.496 1.00 0.00 C ATOM 0 H THR A 94 -4.524 1.869 -5.939 1.00 0.00 H new ATOM 0 HA THR A 94 -2.280 1.792 -7.919 1.00 0.00 H new ATOM 0 HB THR A 94 -3.124 -0.532 -8.286 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.118 -1.498 -6.392 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.766 -1.401 -6.330 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.993 0.035 -7.043 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.927 0.183 -5.535 1.00 0.00 H new ATOM 1023 N THR A 95 -4.855 3.094 -8.383 1.00 0.00 N ATOM 1024 CA THR A 95 -5.625 3.834 -9.364 1.00 0.00 C ATOM 1025 C THR A 95 -5.142 5.294 -9.334 1.00 0.00 C ATOM 1026 O THR A 95 -4.501 5.710 -10.302 1.00 0.00 O ATOM 1027 CB THR A 95 -7.118 3.595 -9.084 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.524 2.314 -9.516 1.00 0.00 O ATOM 1029 CG2 THR A 95 -8.052 4.651 -9.659 1.00 0.00 C ATOM 0 H THR A 95 -4.861 3.532 -7.462 1.00 0.00 H new ATOM 0 HA THR A 95 -5.478 3.502 -10.392 1.00 0.00 H new ATOM 0 HB THR A 95 -7.205 3.668 -8.000 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.477 2.191 -9.323 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.083 4.399 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.805 5.625 -9.236 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.938 4.687 -10.742 1.00 0.00 H new ATOM 1037 N MET A 96 -5.348 6.052 -8.242 1.00 0.00 N ATOM 1038 CA MET A 96 -4.989 7.477 -8.197 1.00 0.00 C ATOM 1039 C MET A 96 -3.480 7.718 -8.275 1.00 0.00 C ATOM 1040 O MET A 96 -3.055 8.821 -8.611 1.00 0.00 O ATOM 1041 CB MET A 96 -5.530 8.183 -6.938 1.00 0.00 C ATOM 1042 CG MET A 96 -7.007 8.571 -7.029 1.00 0.00 C ATOM 1043 SD MET A 96 -7.514 9.943 -5.939 1.00 0.00 S ATOM 1044 CE MET A 96 -6.749 9.517 -4.354 1.00 0.00 C ATOM 0 H MET A 96 -5.762 5.699 -7.379 1.00 0.00 H new ATOM 0 HA MET A 96 -5.460 7.903 -9.083 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.389 7.528 -6.078 1.00 0.00 H new ATOM 0 HB3 MET A 96 -4.940 9.081 -6.755 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.232 8.844 -8.060 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.612 7.696 -6.792 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.005 10.273 -3.611 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.114 8.545 -4.023 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.666 9.477 -4.472 1.00 0.00 H new ATOM 1054 N VAL A 97 -2.660 6.718 -7.959 1.00 0.00 N ATOM 1055 CA VAL A 97 -1.216 6.840 -7.971 1.00 0.00 C ATOM 1056 C VAL A 97 -0.746 5.991 -9.145 1.00 0.00 C ATOM 1057 O VAL A 97 -0.879 4.764 -9.115 1.00 0.00 O ATOM 1058 CB VAL A 97 -0.651 6.451 -6.591 1.00 0.00 C ATOM 1059 CG1 VAL A 97 0.857 6.703 -6.530 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -1.368 7.204 -5.446 1.00 0.00 C ATOM 0 H VAL A 97 -2.990 5.792 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.851 7.856 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.834 5.385 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.234 6.421 -5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.357 6.108 -7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.057 7.760 -6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.941 6.903 -4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.238 8.278 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.431 6.963 -5.461 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.291 6.638 -10.221 1.00 0.00 N ATOM 1071 CA GLN A 98 0.314 5.939 -11.349 1.00 0.00 C ATOM 1072 C GLN A 98 1.658 5.357 -10.910 1.00 0.00 C ATOM 1073 O GLN A 98 2.188 5.771 -9.881 1.00 0.00 O ATOM 1074 CB GLN A 98 0.458 6.903 -12.548 1.00 0.00 C ATOM 1075 CG GLN A 98 0.309 6.199 -13.909 1.00 0.00 C ATOM 1076 CD GLN A 98 -1.028 5.461 -13.978 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -2.084 6.070 -13.833 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -1.009 4.147 -14.072 1.00 0.00 N ATOM 0 H GLN A 98 -0.332 7.651 -10.331 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.322 5.115 -11.674 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.293 7.688 -12.468 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.433 7.389 -12.501 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.370 6.931 -14.714 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.129 5.496 -14.055 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.122 3.657 -14.192 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.881 3.620 -14.025 1.00 0.00 H new ATOM 1087 N ASP A 99 2.205 4.399 -11.664 1.00 0.00 N ATOM 1088 CA ASP A 99 3.462 3.673 -11.402 1.00 0.00 C ATOM 1089 C ASP A 99 3.407 2.766 -10.164 1.00 0.00 C ATOM 1090 O ASP A 99 4.088 1.743 -10.107 1.00 0.00 O ATOM 1091 CB ASP A 99 4.649 4.650 -11.290 1.00 0.00 C ATOM 1092 CG ASP A 99 5.925 4.085 -11.900 1.00 0.00 C ATOM 1093 OD1 ASP A 99 6.163 4.404 -13.092 1.00 0.00 O ATOM 1094 OD2 ASP A 99 6.731 3.440 -11.189 1.00 0.00 O ATOM 0 H ASP A 99 1.759 4.087 -12.527 1.00 0.00 H new ATOM 0 HA ASP A 99 3.606 3.017 -12.261 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.394 5.585 -11.788 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.825 4.885 -10.240 1.00 0.00 H new ATOM 1100 N ALA A 100 2.582 3.122 -9.175 1.00 0.00 N ATOM 1101 CA ALA A 100 2.439 2.428 -7.914 1.00 0.00 C ATOM 1102 C ALA A 100 1.792 1.064 -8.090 1.00 0.00 C ATOM 1103 O ALA A 100 1.045 0.827 -9.044 1.00 0.00 O ATOM 1104 CB ALA A 100 1.589 3.265 -6.956 1.00 0.00 C ATOM 0 H ALA A 100 1.974 3.938 -9.245 1.00 0.00 H new ATOM 0 HA ALA A 100 3.438 2.281 -7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.484 2.738 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.073 4.226 -6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.603 3.428 -7.392 1.00 0.00 H new ATOM 1110 N THR A 101 2.027 0.216 -7.098 1.00 0.00 N ATOM 1111 CA THR A 101 1.458 -1.126 -6.983 1.00 0.00 C ATOM 1112 C THR A 101 1.325 -1.481 -5.501 1.00 0.00 C ATOM 1113 O THR A 101 1.978 -0.858 -4.661 1.00 0.00 O ATOM 1114 CB THR A 101 2.351 -2.165 -7.690 1.00 0.00 C ATOM 1115 OG1 THR A 101 3.734 -1.961 -7.442 1.00 0.00 O ATOM 1116 CG2 THR A 101 2.102 -2.170 -9.195 1.00 0.00 C ATOM 0 H THR A 101 2.643 0.450 -6.319 1.00 0.00 H new ATOM 0 HA THR A 101 0.479 -1.139 -7.462 1.00 0.00 H new ATOM 0 HB THR A 101 2.076 -3.133 -7.270 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.255 -2.646 -7.911 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.745 -2.912 -9.668 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.059 -2.417 -9.390 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.324 -1.184 -9.604 1.00 0.00 H new ATOM 1124 N ALA A 102 0.534 -2.513 -5.193 1.00 0.00 N ATOM 1125 CA ALA A 102 0.507 -3.202 -3.914 1.00 0.00 C ATOM 1126 C ALA A 102 0.315 -4.691 -4.215 1.00 0.00 C ATOM 1127 O ALA A 102 -0.681 -5.081 -4.830 1.00 0.00 O ATOM 1128 CB ALA A 102 -0.604 -2.629 -3.029 1.00 0.00 C ATOM 0 H ALA A 102 -0.131 -2.902 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 102 1.434 -3.064 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.615 -3.153 -2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.423 -1.568 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.566 -2.758 -3.524 1.00 0.00 H new ATOM 1134 N HIS A 103 1.299 -5.500 -3.838 1.00 0.00 N ATOM 1135 CA HIS A 103 1.498 -6.894 -4.235 1.00 0.00 C ATOM 1136 C HIS A 103 1.806 -7.683 -2.959 1.00 0.00 C ATOM 1137 O HIS A 103 2.876 -7.519 -2.374 1.00 0.00 O ATOM 1138 CB HIS A 103 2.690 -6.926 -5.221 1.00 0.00 C ATOM 1139 CG HIS A 103 3.108 -8.279 -5.756 1.00 0.00 C ATOM 1140 ND1 HIS A 103 3.323 -9.418 -5.027 1.00 0.00 N flip ATOM 1141 CD2 HIS A 103 3.618 -8.517 -7.017 1.00 0.00 C flip ATOM 1142 CE1 HIS A 103 3.885 -10.381 -5.866 1.00 0.00 C flip ATOM 1143 NE2 HIS A 103 4.078 -9.777 -7.045 1.00 0.00 N flip ATOM 0 H HIS A 103 2.030 -5.179 -3.203 1.00 0.00 H new ATOM 0 HA HIS A 103 0.626 -7.329 -4.723 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.444 -6.288 -6.070 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.551 -6.478 -4.725 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.642 -7.813 -7.836 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.117 -11.405 -5.615 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.516 -10.216 -7.855 1.00 0.00 H new ATOM 1152 N LEU A 104 0.911 -8.575 -2.539 1.00 0.00 N ATOM 1153 CA LEU A 104 1.165 -9.491 -1.433 1.00 0.00 C ATOM 1154 C LEU A 104 2.036 -10.627 -1.967 1.00 0.00 C ATOM 1155 O LEU A 104 1.571 -11.422 -2.779 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.157 -10.038 -0.872 1.00 0.00 C ATOM 1157 CG LEU A 104 0.016 -11.273 0.033 1.00 0.00 C ATOM 1158 CD1 LEU A 104 0.753 -10.825 1.286 1.00 0.00 C ATOM 1159 CD2 LEU A 104 -1.339 -11.927 0.312 1.00 0.00 C ATOM 0 H LEU A 104 -0.013 -8.682 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 104 1.674 -8.975 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.654 -9.251 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.814 -10.297 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 104 0.610 -12.047 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.892 -11.678 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.725 -10.417 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.170 -10.059 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.198 -12.798 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.993 -11.211 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.793 -12.239 -0.629 1.00 0.00 H new ATOM 1171 N ASP A 105 3.287 -10.696 -1.521 1.00 0.00 N ATOM 1172 CA ASP A 105 4.140 -11.875 -1.605 1.00 0.00 C ATOM 1173 C ASP A 105 3.919 -12.677 -0.324 1.00 0.00 C ATOM 1174 O ASP A 105 4.587 -12.441 0.688 1.00 0.00 O ATOM 1175 CB ASP A 105 5.630 -11.486 -1.724 1.00 0.00 C ATOM 1176 CG ASP A 105 6.524 -12.675 -2.106 1.00 0.00 C ATOM 1177 OD1 ASP A 105 6.094 -13.850 -2.000 1.00 0.00 O ATOM 1178 OD2 ASP A 105 7.700 -12.441 -2.453 1.00 0.00 O ATOM 0 H ASP A 105 3.750 -9.904 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 105 3.886 -12.455 -2.492 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.738 -10.701 -2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 105 5.970 -11.071 -0.775 1.00 0.00 H new ATOM 1184 N VAL A 106 2.949 -13.592 -0.289 1.00 0.00 N ATOM 1185 CA VAL A 106 2.801 -14.476 0.858 1.00 0.00 C ATOM 1186 C VAL A 106 3.980 -15.450 0.973 1.00 0.00 C ATOM 1187 O VAL A 106 4.223 -16.017 2.045 1.00 0.00 O ATOM 1188 CB VAL A 106 1.444 -15.184 0.748 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.415 -16.386 -0.207 1.00 0.00 C ATOM 1190 CG2 VAL A 106 0.929 -15.518 2.147 1.00 0.00 C ATOM 0 H VAL A 106 2.265 -13.736 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 106 2.817 -13.899 1.783 1.00 0.00 H new ATOM 0 HB VAL A 106 0.758 -14.483 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.415 -16.819 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.678 -16.058 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.131 -17.135 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.035 -16.021 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.641 -16.173 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.813 -14.599 2.721 1.00 0.00 H new ATOM 1200 N GLY A 107 4.738 -15.639 -0.109 1.00 0.00 N ATOM 1201 CA GLY A 107 5.842 -16.565 -0.118 1.00 0.00 C ATOM 1202 C GLY A 107 7.005 -16.002 0.692 1.00 0.00 C ATOM 1203 O GLY A 107 7.662 -16.739 1.426 1.00 0.00 O ATOM 0 H GLY A 107 4.594 -15.151 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.528 -17.522 0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.160 -16.753 -1.143 1.00 0.00 H new ATOM 1207 N GLN A 108 7.225 -14.685 0.619 1.00 0.00 N ATOM 1208 CA GLN A 108 8.277 -13.998 1.367 1.00 0.00 C ATOM 1209 C GLN A 108 7.743 -13.150 2.523 1.00 0.00 C ATOM 1210 O GLN A 108 8.513 -12.428 3.149 1.00 0.00 O ATOM 1211 CB GLN A 108 9.149 -13.194 0.382 1.00 0.00 C ATOM 1212 CG GLN A 108 10.602 -13.003 0.849 1.00 0.00 C ATOM 1213 CD GLN A 108 11.239 -14.347 1.160 1.00 0.00 C ATOM 1214 OE1 GLN A 108 11.611 -15.086 0.250 1.00 0.00 O ATOM 1215 NE2 GLN A 108 11.366 -14.707 2.424 1.00 0.00 N ATOM 0 H GLN A 108 6.670 -14.062 0.032 1.00 0.00 H new ATOM 0 HA GLN A 108 8.899 -14.748 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.151 -13.701 -0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.696 -12.215 0.227 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.175 -12.492 0.075 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.626 -12.368 1.735 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.052 -14.082 3.166 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.778 -15.610 2.658 1.00 0.00 H new ATOM 1224 N GLN A 109 6.440 -13.229 2.805 1.00 0.00 N ATOM 1225 CA GLN A 109 5.720 -12.340 3.711 1.00 0.00 C ATOM 1226 C GLN A 109 6.102 -10.879 3.489 1.00 0.00 C ATOM 1227 O GLN A 109 6.430 -10.141 4.425 1.00 0.00 O ATOM 1228 CB GLN A 109 5.889 -12.770 5.167 1.00 0.00 C ATOM 1229 CG GLN A 109 5.258 -14.144 5.397 1.00 0.00 C ATOM 1230 CD GLN A 109 5.063 -14.449 6.876 1.00 0.00 C ATOM 1231 OE1 GLN A 109 5.830 -15.189 7.490 1.00 0.00 O ATOM 1232 NE2 GLN A 109 4.018 -13.912 7.481 1.00 0.00 N ATOM 0 H GLN A 109 5.838 -13.941 2.392 1.00 0.00 H new ATOM 0 HA GLN A 109 4.658 -12.423 3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.948 -12.803 5.422 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.425 -12.036 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.295 -14.189 4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.890 -14.911 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 109 3.388 -13.300 6.963 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.842 -14.110 8.466 1.00 0.00 H new ATOM 1241 N ARG A 110 5.997 -10.446 2.236 1.00 0.00 N ATOM 1242 CA ARG A 110 6.378 -9.119 1.816 1.00 0.00 C ATOM 1243 C ARG A 110 5.225 -8.506 1.056 1.00 0.00 C ATOM 1244 O ARG A 110 4.878 -8.980 -0.017 1.00 0.00 O ATOM 1245 CB ARG A 110 7.690 -9.194 1.038 1.00 0.00 C ATOM 1246 CG ARG A 110 8.285 -7.786 0.883 1.00 0.00 C ATOM 1247 CD ARG A 110 9.172 -7.628 -0.354 1.00 0.00 C ATOM 1248 NE ARG A 110 10.593 -7.442 -0.044 1.00 0.00 N ATOM 1249 CZ ARG A 110 11.474 -6.804 -0.829 1.00 0.00 C ATOM 1250 NH1 ARG A 110 11.084 -6.120 -1.904 1.00 0.00 N ATOM 1251 NH2 ARG A 110 12.765 -6.867 -0.531 1.00 0.00 N ATOM 0 H ARG A 110 5.637 -11.025 1.477 1.00 0.00 H new ATOM 0 HA ARG A 110 6.575 -8.459 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.396 -9.841 1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.517 -9.635 0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.473 -7.061 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.870 -7.548 1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.060 -8.510 -0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.822 -6.774 -0.934 1.00 0.00 H new ATOM 0 HE ARG A 110 10.938 -7.827 0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.094 -6.072 -2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 110 11.775 -5.644 -2.484 1.00 0.00 H new ATOM 0 HH21 ARG A 110 13.075 -7.395 0.285 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.448 -6.387 -1.118 1.00 0.00 H new ATOM 1265 N LEU A 111 4.600 -7.469 1.603 1.00 0.00 N ATOM 1266 CA LEU A 111 3.720 -6.651 0.795 1.00 0.00 C ATOM 1267 C LEU A 111 4.637 -5.721 0.013 1.00 0.00 C ATOM 1268 O LEU A 111 4.986 -4.646 0.501 1.00 0.00 O ATOM 1269 CB LEU A 111 2.658 -5.929 1.634 1.00 0.00 C ATOM 1270 CG LEU A 111 1.883 -4.841 0.887 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.172 -5.389 -0.353 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.924 -4.131 1.862 1.00 0.00 C ATOM 0 H LEU A 111 4.686 -7.184 2.579 1.00 0.00 H new ATOM 0 HA LEU A 111 3.120 -7.250 0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.950 -6.667 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.143 -5.480 2.501 1.00 0.00 H new ATOM 0 HG LEU A 111 2.589 -4.101 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.635 -4.582 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.908 -5.812 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.466 -6.164 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.372 -3.356 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.223 -4.856 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.497 -3.678 2.671 1.00 0.00 H new ATOM 1284 N ASN A 112 5.071 -6.162 -1.167 1.00 0.00 N ATOM 1285 CA ASN A 112 5.772 -5.305 -2.109 1.00 0.00 C ATOM 1286 C ASN A 112 4.836 -4.167 -2.475 1.00 0.00 C ATOM 1287 O ASN A 112 3.660 -4.378 -2.783 1.00 0.00 O ATOM 1288 CB ASN A 112 6.178 -6.065 -3.380 1.00 0.00 C ATOM 1289 CG ASN A 112 7.608 -6.559 -3.296 1.00 0.00 C ATOM 1290 OD1 ASN A 112 8.552 -5.774 -3.263 1.00 0.00 O ATOM 1291 ND2 ASN A 112 7.804 -7.853 -3.205 1.00 0.00 N ATOM 0 H ASN A 112 4.945 -7.121 -1.492 1.00 0.00 H new ATOM 0 HA ASN A 112 6.688 -4.937 -1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.507 -6.911 -3.530 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.067 -5.413 -4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.751 -8.220 -3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.010 -8.492 -3.234 1.00 0.00 H new ATOM 1298 N LEU A 113 5.359 -2.956 -2.436 1.00 0.00 N ATOM 1299 CA LEU A 113 4.615 -1.743 -2.656 1.00 0.00 C ATOM 1300 C LEU A 113 5.510 -0.776 -3.415 1.00 0.00 C ATOM 1301 O LEU A 113 6.709 -0.707 -3.148 1.00 0.00 O ATOM 1302 CB LEU A 113 4.219 -1.174 -1.279 1.00 0.00 C ATOM 1303 CG LEU A 113 2.751 -0.752 -1.253 1.00 0.00 C ATOM 1304 CD1 LEU A 113 1.844 -1.753 -0.556 1.00 0.00 C ATOM 1305 CD2 LEU A 113 2.584 0.652 -0.700 1.00 0.00 C ATOM 0 H LEU A 113 6.347 -2.791 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 113 3.710 -1.916 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.398 -1.924 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.850 -0.317 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 113 2.423 -0.739 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.817 -1.388 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.898 -2.713 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.166 -1.877 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.527 0.918 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.971 0.690 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.134 1.357 -1.324 1.00 0.00 H new ATOM 1317 N THR A 114 4.951 0.024 -4.310 1.00 0.00 N ATOM 1318 CA THR A 114 5.717 1.025 -5.040 1.00 0.00 C ATOM 1319 C THR A 114 4.898 2.305 -5.088 1.00 0.00 C ATOM 1320 O THR A 114 3.674 2.212 -5.148 1.00 0.00 O ATOM 1321 CB THR A 114 6.030 0.493 -6.448 1.00 0.00 C ATOM 1322 OG1 THR A 114 6.679 -0.761 -6.368 1.00 0.00 O ATOM 1323 CG2 THR A 114 6.936 1.424 -7.255 1.00 0.00 C ATOM 0 H THR A 114 3.960 -0.001 -4.550 1.00 0.00 H new ATOM 0 HA THR A 114 6.666 1.236 -4.548 1.00 0.00 H new ATOM 0 HB THR A 114 5.067 0.416 -6.953 1.00 0.00 H new ATOM 0 HG1 THR A 114 6.871 -1.088 -7.272 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.119 0.991 -8.239 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.452 2.394 -7.370 1.00 0.00 H new ATOM 0 HG23 THR A 114 7.884 1.551 -6.733 1.00 0.00 H new ATOM 1331 N ILE A 115 5.556 3.467 -5.082 1.00 0.00 N ATOM 1332 CA ILE A 115 4.994 4.797 -5.315 1.00 0.00 C ATOM 1333 C ILE A 115 6.079 5.614 -6.023 1.00 0.00 C ATOM 1334 O ILE A 115 7.238 5.535 -5.616 1.00 0.00 O ATOM 1335 CB ILE A 115 4.577 5.446 -3.970 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.383 4.715 -3.325 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.188 6.919 -4.125 1.00 0.00 C ATOM 1338 CD1 ILE A 115 3.087 5.232 -1.921 1.00 0.00 C ATOM 0 H ILE A 115 6.559 3.505 -4.903 1.00 0.00 H new ATOM 0 HA ILE A 115 4.096 4.751 -5.931 1.00 0.00 H new ATOM 0 HB ILE A 115 5.457 5.366 -3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.500 4.841 -3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.593 3.646 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.905 7.325 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.036 7.480 -4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.346 7.003 -4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.239 4.689 -1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.960 5.082 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.850 6.295 -1.967 1.00 0.00 H new ATOM 1350 N PRO A 116 5.739 6.411 -7.046 1.00 0.00 N ATOM 1351 CA PRO A 116 6.667 7.356 -7.656 1.00 0.00 C ATOM 1352 C PRO A 116 6.990 8.503 -6.681 1.00 0.00 C ATOM 1353 O PRO A 116 6.106 8.981 -5.969 1.00 0.00 O ATOM 1354 CB PRO A 116 5.932 7.862 -8.898 1.00 0.00 C ATOM 1355 CG PRO A 116 4.454 7.722 -8.567 1.00 0.00 C ATOM 1356 CD PRO A 116 4.410 6.521 -7.629 1.00 0.00 C ATOM 0 HA PRO A 116 7.626 6.904 -7.909 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.191 8.898 -9.115 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.196 7.276 -9.779 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.064 8.620 -8.088 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.857 7.553 -9.463 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.656 6.660 -6.855 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.147 5.613 -8.172 1.00 0.00 H new ATOM 1364 N GLN A 117 8.221 9.018 -6.696 1.00 0.00 N ATOM 1365 CA GLN A 117 8.701 10.065 -5.790 1.00 0.00 C ATOM 1366 C GLN A 117 7.839 11.331 -5.814 1.00 0.00 C ATOM 1367 O GLN A 117 7.818 12.064 -4.823 1.00 0.00 O ATOM 1368 CB GLN A 117 10.157 10.456 -6.102 1.00 0.00 C ATOM 1369 CG GLN A 117 11.202 9.378 -5.793 1.00 0.00 C ATOM 1370 CD GLN A 117 11.230 8.990 -4.313 1.00 0.00 C ATOM 1371 OE1 GLN A 117 11.672 9.760 -3.464 1.00 0.00 O ATOM 1372 NE2 GLN A 117 10.742 7.812 -3.974 1.00 0.00 N ATOM 0 H GLN A 117 8.933 8.709 -7.358 1.00 0.00 H new ATOM 0 HA GLN A 117 8.635 9.629 -4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.228 10.716 -7.158 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.405 11.353 -5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 117 10.993 8.492 -6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.188 9.738 -6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.379 7.185 -4.692 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.728 7.529 -2.994 1.00 0.00 H new ATOM 1381 N ALA A 118 7.110 11.603 -6.898 1.00 0.00 N ATOM 1382 CA ALA A 118 6.172 12.713 -6.943 1.00 0.00 C ATOM 1383 C ALA A 118 5.107 12.604 -5.843 1.00 0.00 C ATOM 1384 O ALA A 118 4.633 13.643 -5.388 1.00 0.00 O ATOM 1385 CB ALA A 118 5.515 12.799 -8.323 1.00 0.00 C ATOM 0 H ALA A 118 7.156 11.061 -7.761 1.00 0.00 H new ATOM 0 HA ALA A 118 6.734 13.629 -6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.815 13.635 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.282 12.951 -9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.979 11.873 -8.529 1.00 0.00 H new ATOM 1391 N PHE A 119 4.739 11.404 -5.367 1.00 0.00 N ATOM 1392 CA PHE A 119 3.726 11.240 -4.341 1.00 0.00 C ATOM 1393 C PHE A 119 4.438 10.801 -3.060 1.00 0.00 C ATOM 1394 O PHE A 119 3.865 10.085 -2.241 1.00 0.00 O ATOM 1395 CB PHE A 119 2.729 10.162 -4.811 1.00 0.00 C ATOM 1396 CG PHE A 119 1.889 10.409 -6.056 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.472 10.708 -7.301 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.505 10.173 -6.008 1.00 0.00 C ATOM 1399 CE1 PHE A 119 1.680 10.830 -8.448 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -0.274 10.228 -7.181 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.305 10.587 -8.401 1.00 0.00 C ATOM 0 H PHE A 119 5.143 10.525 -5.691 1.00 0.00 H new ATOM 0 HA PHE A 119 3.179 12.164 -4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.294 9.244 -4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.042 9.971 -3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 119 3.541 10.845 -7.372 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.033 9.947 -5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 119 2.138 11.116 -9.383 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -1.327 9.991 -7.137 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.300 10.675 -9.292 1.00 0.00 H new ATOM 1411 N MET A 120 5.634 11.332 -2.797 1.00 0.00 N ATOM 1412 CA MET A 120 6.439 11.023 -1.627 1.00 0.00 C ATOM 1413 C MET A 120 6.858 12.347 -1.032 1.00 0.00 C ATOM 1414 O MET A 120 7.498 13.171 -1.687 1.00 0.00 O ATOM 1415 CB MET A 120 7.655 10.153 -1.979 1.00 0.00 C ATOM 1416 CG MET A 120 7.253 8.756 -2.462 1.00 0.00 C ATOM 1417 SD MET A 120 6.212 7.816 -1.310 1.00 0.00 S ATOM 1418 CE MET A 120 7.287 7.745 0.144 1.00 0.00 C ATOM 0 H MET A 120 6.078 12.010 -3.416 1.00 0.00 H new ATOM 0 HA MET A 120 5.862 10.438 -0.910 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.240 10.648 -2.754 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.298 10.061 -1.104 1.00 0.00 H new ATOM 0 HG2 MET A 120 6.723 8.854 -3.409 1.00 0.00 H new ATOM 0 HG3 MET A 120 8.158 8.182 -2.661 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.849 7.080 0.888 1.00 0.00 H new ATOM 0 HE2 MET A 120 8.268 7.369 -0.147 1.00 0.00 H new ATOM 0 HE3 MET A 120 7.392 8.744 0.568 1.00 0.00 H new ATOM 1428 N SER A 121 6.416 12.595 0.190 1.00 0.00 N ATOM 1429 CA SER A 121 6.860 13.739 0.956 1.00 0.00 C ATOM 1430 C SER A 121 8.312 13.529 1.384 1.00 0.00 C ATOM 1431 O SER A 121 8.928 12.481 1.164 1.00 0.00 O ATOM 1432 CB SER A 121 5.957 13.941 2.177 1.00 0.00 C ATOM 1433 OG SER A 121 5.568 15.296 2.311 1.00 0.00 O ATOM 0 H SER A 121 5.739 12.006 0.676 1.00 0.00 H new ATOM 0 HA SER A 121 6.799 14.636 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 121 5.071 13.313 2.084 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.482 13.620 3.077 1.00 0.00 H new ATOM 0 HG SER A 121 4.778 15.466 1.756 1.00 0.00 H new ATOM 1439 N ASN A 122 8.840 14.558 2.029 1.00 0.00 N ATOM 1440 CA ASN A 122 10.130 14.543 2.693 1.00 0.00 C ATOM 1441 C ASN A 122 10.121 13.552 3.861 1.00 0.00 C ATOM 1442 O ASN A 122 9.059 13.134 4.345 1.00 0.00 O ATOM 1443 CB ASN A 122 10.408 15.960 3.206 1.00 0.00 C ATOM 1444 CG ASN A 122 10.772 16.924 2.086 1.00 0.00 C ATOM 1445 OD1 ASN A 122 9.941 17.229 1.236 1.00 0.00 O ATOM 1446 ND2 ASN A 122 11.986 17.441 2.064 1.00 0.00 N ATOM 0 H ASN A 122 8.364 15.457 2.106 1.00 0.00 H new ATOM 0 HA ASN A 122 10.907 14.229 1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 122 9.528 16.333 3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 122 11.221 15.927 3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 122 12.245 18.104 1.333 1.00 0.00 H new ATOM 0 HD22 ASN A 122 12.666 17.178 2.778 1.00 0.00 H new ATOM 1453 N ARG A 123 11.316 13.238 4.369 1.00 0.00 N ATOM 1454 CA ARG A 123 11.616 12.326 5.470 1.00 0.00 C ATOM 1455 C ARG A 123 11.234 10.878 5.218 1.00 0.00 C ATOM 1456 O ARG A 123 12.118 10.030 5.284 1.00 0.00 O ATOM 1457 CB ARG A 123 11.107 12.857 6.825 1.00 0.00 C ATOM 1458 CG ARG A 123 12.231 13.472 7.673 1.00 0.00 C ATOM 1459 CD ARG A 123 13.327 12.459 8.041 1.00 0.00 C ATOM 1460 NE ARG A 123 14.298 13.017 8.986 1.00 0.00 N ATOM 1461 CZ ARG A 123 15.304 12.335 9.538 1.00 0.00 C ATOM 1462 NH1 ARG A 123 15.475 11.035 9.293 1.00 0.00 N ATOM 1463 NH2 ARG A 123 16.128 12.979 10.350 1.00 0.00 N ATOM 0 H ARG A 123 12.167 13.651 3.987 1.00 0.00 H new ATOM 0 HA ARG A 123 12.704 12.305 5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.335 13.607 6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.641 12.042 7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 123 12.679 14.302 7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 123 11.805 13.886 8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.868 11.571 8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 123 13.844 12.140 7.136 1.00 0.00 H new ATOM 0 HE ARG A 123 14.198 14.000 9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 123 14.830 10.544 8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 123 16.250 10.532 9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 123 15.985 13.971 10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 123 16.905 12.483 10.786 1.00 0.00 H new ATOM 1477 N ALA A 124 9.955 10.546 5.061 1.00 0.00 N ATOM 1478 CA ALA A 124 9.375 9.204 5.227 1.00 0.00 C ATOM 1479 C ALA A 124 9.519 8.574 6.620 1.00 0.00 C ATOM 1480 O ALA A 124 8.671 7.769 6.998 1.00 0.00 O ATOM 1481 CB ALA A 124 9.829 8.249 4.115 1.00 0.00 C ATOM 0 H ALA A 124 9.253 11.239 4.801 1.00 0.00 H new ATOM 0 HA ALA A 124 8.302 9.369 5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.380 7.268 4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.515 8.641 3.148 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.915 8.158 4.134 1.00 0.00 H new ATOM 1487 N ARG A 125 10.497 9.028 7.402 1.00 0.00 N ATOM 1488 CA ARG A 125 10.892 8.566 8.724 1.00 0.00 C ATOM 1489 C ARG A 125 11.454 7.169 8.612 1.00 0.00 C ATOM 1490 O ARG A 125 12.695 7.115 8.479 1.00 0.00 O ATOM 1491 CB ARG A 125 9.782 8.733 9.780 1.00 0.00 C ATOM 1492 CG ARG A 125 9.306 10.183 9.969 1.00 0.00 C ATOM 1493 CD ARG A 125 10.475 11.132 10.278 1.00 0.00 C ATOM 1494 NE ARG A 125 10.036 12.406 10.872 1.00 0.00 N ATOM 1495 CZ ARG A 125 9.788 12.637 12.168 1.00 0.00 C ATOM 1496 NH1 ARG A 125 9.802 11.655 13.060 1.00 0.00 N ATOM 1497 NH2 ARG A 125 9.524 13.875 12.555 1.00 0.00 N ATOM 0 H ARG A 125 11.086 9.801 7.093 1.00 0.00 H new ATOM 0 HA ARG A 125 11.687 9.207 9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 125 8.929 8.117 9.495 1.00 0.00 H new ATOM 0 HB3 ARG A 125 10.145 8.354 10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.795 10.518 9.067 1.00 0.00 H new ATOM 0 HG3 ARG A 125 8.580 10.224 10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 125 11.167 10.638 10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 125 11.024 11.335 9.359 1.00 0.00 H new ATOM 0 HE ARG A 125 9.908 13.191 10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 125 10.005 10.700 12.764 1.00 0.00 H new ATOM 0 HH12 ARG A 125 9.610 11.855 14.042 1.00 0.00 H new ATOM 0 HH21 ARG A 125 9.512 14.632 11.871 1.00 0.00 H new ATOM 0 HH22 ARG A 125 9.332 14.072 13.537 1.00 0.00 H new TER 1511 ARG A 125