USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 936 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 83 HIS :FLIP no HD1:sc= -0.0541 X(o=-5.3,f=-5.1) USER MOD Set 1.2: A 85 GLN :FLIP amide:sc= -5.05! F(o=-6.1,f=-5.1!) USER MOD Set 2.1: A 21 SER OG : rot 140:sc= -1.42 USER MOD Set 2.2: A 52 GLN : amide:sc= -1.22 X(o=-2.6,f=-3.1!) USER MOD Set 3.1: A 47 ASN : amide:sc= -1.19 K(o=-1.3,f=-4.1!) USER MOD Set 3.2: A 76 GLN : amide:sc= -0.134 K(o=-1.3,f=-7.2!) USER MOD Single : A 1 CYS N :NH3+ 167:sc= -0.0854 (180deg=-0.254) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0215 X(o=-0.021,f=-0.2) USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 11 THR OG1 : rot -20:sc= 0.816 USER MOD Single : A 15 SER OG : rot -54:sc= 0.0444 USER MOD Single : A 16 GLN : amide:sc= -1.55 K(o=-1.5,f=-5.6!) USER MOD Single : A 17 MET CE :methyl -173:sc=-0.00993 (180deg=-0.0189) USER MOD Single : A 18 SER OG : rot 31:sc= 1.12 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0318 USER MOD Single : A 22 SER OG : rot 160:sc= -0.852 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -6.57! C(o=-6.6!,f=-6.3!) USER MOD Single : A 42 ASN : amide:sc= -2.33 K(o=-2.3,f=-4.1) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -2.99! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN :FLIP amide:sc= -2.52 F(o=-3.2,f=-2.5) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.0312 (180deg=-0.235) USER MOD Single : A 61 GLN : amide:sc= -1.63 K(o=-1.6,f=-6!) USER MOD Single : A 66 THR OG1 : rot -29:sc= 0.741 USER MOD Single : A 67 GLN : amide:sc= -0.0617 K(o=-0.062,f=-1.6!) USER MOD Single : A 69 GLN : amide:sc= -0.0151 K(o=-0.015,f=-0.67) USER MOD Single : A 71 THR OG1 : rot -70:sc= -1.51 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.699 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HE2:sc= -2.09 X(o=-2.1,f=-2.4) USER MOD Single : A 95 SER OG : rot -70:sc= 0.522 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.051) USER MOD Single : A 116 ASN : amide:sc= -4.48! C(o=-4.5!,f=-8.9!) USER MOD Single : A 119 ASN : amide:sc= -2.49 K(o=-2.5,f=-3.3!) USER MOD Single : A 120 ASN : amide:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-3.1) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -1.5 K(o=-1.5,f=-5!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl -172:sc= -0.328 (180deg=-0.368) USER MOD Single : A 135 TYR OH : rot 30:sc= -0.342 USER MOD Single : A 142 SER OG : rot 180:sc= -0.676 USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 145 ASN :FLIP amide:sc= -0.754 F(o=-2.2,f=-0.75) USER MOD Single : A 148 THR OG1 : rot 180:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 2.718 14.857 -14.376 1.00 75.04 N ATOM 75 CA CYS A 1 2.343 14.862 -12.967 1.00 51.20 C ATOM 76 C CYS A 1 2.403 13.454 -12.383 1.00 12.13 C ATOM 77 O CYS A 1 1.714 13.143 -11.411 1.00 34.22 O ATOM 78 CB CYS A 1 0.936 15.439 -12.794 1.00 23.31 C ATOM 79 SG CYS A 1 0.566 16.001 -11.102 1.00 30.12 S ATOM 0 H1 CYS A 1 2.462 15.769 -14.806 1.00 75.04 H new ATOM 0 H2 CYS A 1 3.744 14.709 -14.462 1.00 75.04 H new ATOM 0 H3 CYS A 1 2.216 14.090 -14.866 1.00 75.04 H new ATOM 0 HA CYS A 1 3.054 15.489 -12.430 1.00 51.20 H new ATOM 0 HB2 CYS A 1 0.812 16.278 -13.479 1.00 23.31 H new ATOM 0 HB3 CYS A 1 0.207 14.682 -13.082 1.00 23.31 H new ATOM 83 N SER A 2 3.232 12.605 -12.984 1.00 35.43 N ATOM 84 CA SER A 2 3.380 11.229 -12.525 1.00 63.05 C ATOM 85 C SER A 2 4.830 10.770 -12.644 1.00 21.45 C ATOM 86 O SER A 2 5.245 10.253 -13.679 1.00 2.54 O ATOM 87 CB SER A 2 2.472 10.300 -13.334 1.00 63.04 C ATOM 88 OG SER A 2 2.378 10.725 -14.682 1.00 22.11 O ATOM 0 H SER A 2 3.810 12.846 -13.789 1.00 35.43 H new ATOM 0 HA SER A 2 3.089 11.188 -11.475 1.00 63.05 H new ATOM 0 HB2 SER A 2 2.862 9.283 -13.297 1.00 63.04 H new ATOM 0 HB3 SER A 2 1.478 10.277 -12.886 1.00 63.04 H new ATOM 0 HG SER A 2 1.794 10.114 -15.178 1.00 22.11 H new ATOM 93 N GLU A 3 5.595 10.963 -11.573 1.00 74.04 N ATOM 94 CA GLU A 3 6.999 10.572 -11.557 1.00 25.44 C ATOM 95 C GLU A 3 7.208 9.336 -10.686 1.00 61.51 C ATOM 96 O GLU A 3 6.474 9.088 -9.729 1.00 13.31 O ATOM 97 CB GLU A 3 7.867 11.723 -11.046 1.00 21.44 C ATOM 98 CG GLU A 3 7.771 11.937 -9.544 1.00 53.10 C ATOM 99 CD GLU A 3 8.796 11.128 -8.772 1.00 3.02 C ATOM 100 OE1 GLU A 3 10.005 11.308 -9.026 1.00 5.13 O ATOM 101 OE2 GLU A 3 8.389 10.316 -7.916 1.00 31.52 O ATOM 0 H GLU A 3 5.265 11.388 -10.706 1.00 74.04 H new ATOM 0 HA GLU A 3 7.295 10.331 -12.578 1.00 25.44 H new ATOM 0 HB2 GLU A 3 8.906 11.529 -11.311 1.00 21.44 H new ATOM 0 HB3 GLU A 3 7.574 12.641 -11.555 1.00 21.44 H new ATOM 0 HG2 GLU A 3 7.907 12.995 -9.322 1.00 53.10 H new ATOM 0 HG3 GLU A 3 6.771 11.667 -9.206 1.00 53.10 H new ATOM 106 N PRO A 4 8.233 8.540 -11.025 1.00 64.22 N ATOM 107 CA PRO A 4 8.563 7.317 -10.287 1.00 10.42 C ATOM 108 C PRO A 4 9.122 7.610 -8.899 1.00 12.11 C ATOM 109 O PRO A 4 8.377 7.681 -7.920 1.00 43.12 O ATOM 110 CB PRO A 4 9.628 6.652 -11.163 1.00 21.11 C ATOM 111 CG PRO A 4 10.247 7.773 -11.924 1.00 23.44 C ATOM 112 CD PRO A 4 9.150 8.773 -12.153 1.00 63.05 C ATOM 0 HA PRO A 4 7.684 6.696 -10.114 1.00 10.42 H new ATOM 0 HB2 PRO A 4 10.368 6.128 -10.558 1.00 21.11 H new ATOM 0 HB3 PRO A 4 9.186 5.915 -11.833 1.00 21.11 H new ATOM 0 HG2 PRO A 4 11.070 8.218 -11.364 1.00 23.44 H new ATOM 0 HG3 PRO A 4 10.659 7.422 -12.870 1.00 23.44 H new ATOM 0 HD2 PRO A 4 9.532 9.794 -12.156 1.00 63.05 H new ATOM 0 HD3 PRO A 4 8.656 8.615 -13.112 1.00 63.05 H new ATOM 117 N LEU A 5 10.437 7.781 -8.820 1.00 1.14 N ATOM 118 CA LEU A 5 11.096 8.068 -7.551 1.00 35.14 C ATOM 119 C LEU A 5 12.566 8.415 -7.766 1.00 64.20 C ATOM 120 O LEU A 5 13.111 9.294 -7.100 1.00 63.20 O ATOM 121 CB LEU A 5 10.976 6.868 -6.608 1.00 52.40 C ATOM 122 CG LEU A 5 11.323 5.506 -7.209 1.00 42.42 C ATOM 123 CD1 LEU A 5 12.724 5.081 -6.797 1.00 60.31 C ATOM 124 CD2 LEU A 5 10.301 4.460 -6.787 1.00 50.24 C ATOM 0 H LEU A 5 11.068 7.726 -9.620 1.00 1.14 H new ATOM 0 HA LEU A 5 10.601 8.928 -7.100 1.00 35.14 H new ATOM 0 HB2 LEU A 5 11.625 7.040 -5.749 1.00 52.40 H new ATOM 0 HB3 LEU A 5 9.954 6.827 -6.232 1.00 52.40 H new ATOM 0 HG LEU A 5 11.297 5.593 -8.295 1.00 42.42 H new ATOM 0 HD11 LEU A 5 12.953 4.109 -7.234 1.00 60.31 H new ATOM 0 HD12 LEU A 5 13.446 5.817 -7.150 1.00 60.31 H new ATOM 0 HD13 LEU A 5 12.778 5.012 -5.711 1.00 60.31 H new ATOM 0 HD21 LEU A 5 10.564 3.497 -7.224 1.00 50.24 H new ATOM 0 HD22 LEU A 5 10.294 4.375 -5.700 1.00 50.24 H new ATOM 0 HD23 LEU A 5 9.311 4.758 -7.134 1.00 50.24 H new ATOM 135 N GLY A 6 13.202 7.718 -8.704 1.00 71.32 N ATOM 136 CA GLY A 6 14.602 7.969 -8.992 1.00 1.11 C ATOM 137 C GLY A 6 15.002 7.494 -10.375 1.00 0.24 C ATOM 138 O GLY A 6 16.150 7.104 -10.598 1.00 74.14 O ATOM 0 H GLY A 6 12.773 6.985 -9.269 1.00 71.32 H new ATOM 0 HA2 GLY A 6 14.802 9.037 -8.906 1.00 1.11 H new ATOM 0 HA3 GLY A 6 15.219 7.468 -8.246 1.00 1.11 H new ATOM 142 N LEU A 7 14.056 7.525 -11.306 1.00 41.52 N ATOM 143 CA LEU A 7 14.315 7.093 -12.675 1.00 11.23 C ATOM 144 C LEU A 7 14.293 8.279 -13.634 1.00 5.13 C ATOM 145 O LEU A 7 14.177 8.108 -14.848 1.00 61.42 O ATOM 146 CB LEU A 7 13.280 6.053 -13.108 1.00 22.05 C ATOM 147 CG LEU A 7 12.930 4.983 -12.073 1.00 11.12 C ATOM 148 CD1 LEU A 7 11.744 4.155 -12.541 1.00 13.31 C ATOM 149 CD2 LEU A 7 14.133 4.090 -11.803 1.00 61.30 C ATOM 0 H LEU A 7 13.102 7.845 -11.138 1.00 41.52 H new ATOM 0 HA LEU A 7 15.307 6.643 -12.706 1.00 11.23 H new ATOM 0 HB2 LEU A 7 12.364 6.575 -13.386 1.00 22.05 H new ATOM 0 HB3 LEU A 7 13.648 5.555 -14.005 1.00 22.05 H new ATOM 0 HG LEU A 7 12.655 5.480 -11.143 1.00 11.12 H new ATOM 0 HD11 LEU A 7 11.510 3.399 -11.792 1.00 13.31 H new ATOM 0 HD12 LEU A 7 10.880 4.805 -12.683 1.00 13.31 H new ATOM 0 HD13 LEU A 7 11.990 3.667 -13.484 1.00 13.31 H new ATOM 0 HD21 LEU A 7 13.867 3.334 -11.064 1.00 61.30 H new ATOM 0 HD22 LEU A 7 14.438 3.601 -12.728 1.00 61.30 H new ATOM 0 HD23 LEU A 7 14.957 4.694 -11.423 1.00 61.30 H new ATOM 160 N LYS A 8 14.409 9.482 -13.082 1.00 60.04 N ATOM 161 CA LYS A 8 14.405 10.697 -13.887 1.00 1.55 C ATOM 162 C LYS A 8 15.585 11.593 -13.524 1.00 14.44 C ATOM 163 O LYS A 8 16.290 12.092 -14.400 1.00 3.31 O ATOM 164 CB LYS A 8 13.094 11.461 -13.691 1.00 24.34 C ATOM 165 CG LYS A 8 12.399 11.820 -14.992 1.00 44.14 C ATOM 166 CD LYS A 8 11.929 10.581 -15.736 1.00 23.52 C ATOM 167 CE LYS A 8 12.471 10.543 -17.156 1.00 21.31 C ATOM 168 NZ LYS A 8 11.499 9.930 -18.104 1.00 14.34 N ATOM 0 H LYS A 8 14.507 9.641 -12.079 1.00 60.04 H new ATOM 0 HA LYS A 8 14.497 10.408 -14.934 1.00 1.55 H new ATOM 0 HB2 LYS A 8 12.419 10.858 -13.083 1.00 24.34 H new ATOM 0 HB3 LYS A 8 13.296 12.375 -13.132 1.00 24.34 H new ATOM 0 HG2 LYS A 8 11.546 12.465 -14.783 1.00 44.14 H new ATOM 0 HG3 LYS A 8 13.081 12.388 -15.625 1.00 44.14 H new ATOM 0 HD2 LYS A 8 12.251 9.689 -15.199 1.00 23.52 H new ATOM 0 HD3 LYS A 8 10.839 10.562 -15.761 1.00 23.52 H new ATOM 0 HE2 LYS A 8 12.707 11.556 -17.482 1.00 21.31 H new ATOM 0 HE3 LYS A 8 13.402 9.977 -17.174 1.00 21.31 H new ATOM 0 HZ1 LYS A 8 11.905 9.922 -19.061 1.00 14.34 H new ATOM 0 HZ2 LYS A 8 11.293 8.955 -17.808 1.00 14.34 H new ATOM 0 HZ3 LYS A 8 10.619 10.484 -18.106 1.00 14.34 H new ATOM 178 N ASN A 9 15.796 11.791 -12.226 1.00 52.44 N ATOM 179 CA ASN A 9 16.892 12.626 -11.749 1.00 52.00 C ATOM 180 C ASN A 9 17.140 12.398 -10.261 1.00 75.25 C ATOM 181 O ASN A 9 18.281 12.426 -9.800 1.00 54.14 O ATOM 182 CB ASN A 9 16.584 14.103 -12.005 1.00 2.34 C ATOM 183 CG ASN A 9 17.436 14.686 -13.117 1.00 44.04 C ATOM 184 OD1 ASN A 9 18.652 14.503 -13.143 1.00 22.24 O ATOM 185 ND2 ASN A 9 16.796 15.392 -14.043 1.00 11.12 N ATOM 0 H ASN A 9 15.223 11.385 -11.487 1.00 52.44 H new ATOM 0 HA ASN A 9 17.793 12.349 -12.297 1.00 52.00 H new ATOM 0 HB2 ASN A 9 15.531 14.213 -12.262 1.00 2.34 H new ATOM 0 HB3 ASN A 9 16.749 14.670 -11.089 1.00 2.34 H new ATOM 0 HD21 ASN A 9 17.315 15.808 -14.816 1.00 11.12 H new ATOM 0 HD22 ASN A 9 15.786 15.518 -13.981 1.00 11.12 H new ATOM 191 N ASN A 10 16.064 12.172 -9.514 1.00 54.31 N ATOM 192 CA ASN A 10 16.165 11.939 -8.078 1.00 41.00 C ATOM 193 C ASN A 10 17.142 10.806 -7.779 1.00 32.20 C ATOM 194 O ASN A 10 17.843 10.827 -6.766 1.00 10.31 O ATOM 195 CB ASN A 10 14.789 11.608 -7.497 1.00 71.51 C ATOM 196 CG ASN A 10 13.954 12.848 -7.244 1.00 62.21 C ATOM 197 OD1 ASN A 10 13.960 13.770 -8.200 1.00 2.22 O flip ATOM 198 ND2 ASN A 10 13.311 12.976 -6.202 1.00 5.51 N flip ATOM 0 H ASN A 10 15.112 12.145 -9.880 1.00 54.31 H new ATOM 0 HA ASN A 10 16.539 12.850 -7.612 1.00 41.00 H new ATOM 0 HB2 ASN A 10 14.257 10.949 -8.183 1.00 71.51 H new ATOM 0 HB3 ASN A 10 14.914 11.061 -6.563 1.00 71.51 H new ATOM 0 HD21 ASN A 10 13.335 12.242 -5.494 1.00 5.51 H new ATOM 0 HD22 ASN A 10 12.754 13.816 -6.046 1.00 5.51 H new ATOM 204 N THR A 11 17.183 9.818 -8.666 1.00 23.25 N ATOM 205 CA THR A 11 18.074 8.676 -8.497 1.00 65.23 C ATOM 206 C THR A 11 17.935 8.072 -7.105 1.00 23.22 C ATOM 207 O THR A 11 18.885 7.501 -6.567 1.00 43.34 O ATOM 208 CB THR A 11 19.544 9.071 -8.727 1.00 2.43 C ATOM 209 OG1 THR A 11 20.031 9.824 -7.610 1.00 21.14 O ATOM 210 CG2 THR A 11 19.691 9.892 -10.000 1.00 45.24 C ATOM 0 H THR A 11 16.610 9.785 -9.509 1.00 23.25 H new ATOM 0 HA THR A 11 17.783 7.936 -9.243 1.00 65.23 H new ATOM 0 HB THR A 11 20.130 8.158 -8.832 1.00 2.43 H new ATOM 0 HG1 THR A 11 19.274 10.189 -7.106 1.00 21.14 H new ATOM 0 HG21 THR A 11 20.738 10.159 -10.142 1.00 45.24 H new ATOM 0 HG22 THR A 11 19.348 9.306 -10.853 1.00 45.24 H new ATOM 0 HG23 THR A 11 19.093 10.799 -9.919 1.00 45.24 H new ATOM 218 N ILE A 12 16.746 8.199 -6.525 1.00 42.14 N ATOM 219 CA ILE A 12 16.482 7.662 -5.196 1.00 54.20 C ATOM 220 C ILE A 12 16.856 6.187 -5.115 1.00 32.32 C ATOM 221 O ILE A 12 16.517 5.386 -5.986 1.00 22.22 O ATOM 222 CB ILE A 12 15.003 7.829 -4.804 1.00 60.33 C ATOM 223 CG1 ILE A 12 14.751 9.236 -4.259 1.00 32.03 C ATOM 224 CG2 ILE A 12 14.604 6.778 -3.779 1.00 33.13 C ATOM 225 CD1 ILE A 12 15.396 9.487 -2.913 1.00 5.15 C ATOM 0 H ILE A 12 15.950 8.670 -6.955 1.00 42.14 H new ATOM 0 HA ILE A 12 17.099 8.229 -4.499 1.00 54.20 H new ATOM 0 HB ILE A 12 14.390 7.691 -5.694 1.00 60.33 H new ATOM 0 HG12 ILE A 12 15.127 9.967 -4.975 1.00 32.03 H new ATOM 0 HG13 ILE A 12 13.676 9.397 -4.174 1.00 32.03 H new ATOM 0 HG21 ILE A 12 13.555 6.910 -3.512 1.00 33.13 H new ATOM 0 HG22 ILE A 12 14.749 5.784 -4.202 1.00 33.13 H new ATOM 0 HG23 ILE A 12 15.222 6.886 -2.887 1.00 33.13 H new ATOM 0 HD11 ILE A 12 15.176 10.504 -2.588 1.00 5.15 H new ATOM 0 HD12 ILE A 12 15.002 8.780 -2.183 1.00 5.15 H new ATOM 0 HD13 ILE A 12 16.475 9.359 -2.997 1.00 5.15 H new ATOM 236 N PRO A 13 17.569 5.815 -4.041 1.00 24.23 N ATOM 237 CA PRO A 13 18.002 4.432 -3.818 1.00 51.02 C ATOM 238 C PRO A 13 16.836 3.506 -3.486 1.00 14.14 C ATOM 239 O PRO A 13 15.672 3.884 -3.625 1.00 4.42 O ATOM 240 CB PRO A 13 18.952 4.546 -2.623 1.00 65.13 C ATOM 241 CG PRO A 13 18.510 5.773 -1.903 1.00 43.13 C ATOM 242 CD PRO A 13 18.008 6.715 -2.962 1.00 73.43 C ATOM 0 HA PRO A 13 18.463 4.001 -4.707 1.00 51.02 H new ATOM 0 HB2 PRO A 13 18.889 3.667 -1.982 1.00 65.13 H new ATOM 0 HB3 PRO A 13 19.989 4.630 -2.948 1.00 65.13 H new ATOM 0 HG2 PRO A 13 17.725 5.542 -1.183 1.00 43.13 H new ATOM 0 HG3 PRO A 13 19.335 6.217 -1.345 1.00 43.13 H new ATOM 0 HD2 PRO A 13 17.188 7.332 -2.595 1.00 73.43 H new ATOM 0 HD3 PRO A 13 18.791 7.394 -3.299 1.00 73.43 H new ATOM 247 N ASP A 14 17.157 2.295 -3.047 1.00 24.20 N ATOM 248 CA ASP A 14 16.136 1.315 -2.693 1.00 63.12 C ATOM 249 C ASP A 14 15.811 1.382 -1.205 1.00 72.41 C ATOM 250 O ASP A 14 15.265 0.438 -0.634 1.00 4.44 O ATOM 251 CB ASP A 14 16.601 -0.095 -3.063 1.00 52.31 C ATOM 252 CG ASP A 14 17.446 -0.113 -4.320 1.00 4.22 C ATOM 253 OD1 ASP A 14 16.871 -0.018 -5.425 1.00 70.11 O ATOM 254 OD2 ASP A 14 18.685 -0.224 -4.201 1.00 60.24 O ATOM 0 H ASP A 14 18.116 1.968 -2.927 1.00 24.20 H new ATOM 0 HA ASP A 14 15.232 1.550 -3.255 1.00 63.12 H new ATOM 0 HB2 ASP A 14 17.175 -0.514 -2.237 1.00 52.31 H new ATOM 0 HB3 ASP A 14 15.731 -0.736 -3.204 1.00 52.31 H new ATOM 258 N SER A 15 16.149 2.505 -0.580 1.00 14.12 N ATOM 259 CA SER A 15 15.898 2.695 0.844 1.00 32.43 C ATOM 260 C SER A 15 14.554 3.379 1.072 1.00 61.22 C ATOM 261 O SER A 15 14.437 4.277 1.906 1.00 42.33 O ATOM 262 CB SER A 15 17.018 3.523 1.476 1.00 14.54 C ATOM 263 OG SER A 15 17.035 3.369 2.884 1.00 74.25 O ATOM 0 H SER A 15 16.598 3.298 -1.038 1.00 14.12 H new ATOM 0 HA SER A 15 15.872 1.713 1.317 1.00 32.43 H new ATOM 0 HB2 SER A 15 17.979 3.217 1.062 1.00 14.54 H new ATOM 0 HB3 SER A 15 16.883 4.575 1.224 1.00 14.54 H new ATOM 0 HG SER A 15 16.148 3.573 3.246 1.00 74.25 H new ATOM 268 N GLN A 16 13.543 2.947 0.325 1.00 2.24 N ATOM 269 CA GLN A 16 12.207 3.518 0.445 1.00 41.14 C ATOM 270 C GLN A 16 11.240 2.515 1.067 1.00 12.31 C ATOM 271 O GLN A 16 10.465 2.857 1.960 1.00 54.41 O ATOM 272 CB GLN A 16 11.692 3.957 -0.927 1.00 73.34 C ATOM 273 CG GLN A 16 11.730 2.854 -1.972 1.00 64.41 C ATOM 274 CD GLN A 16 11.396 3.356 -3.363 1.00 71.14 C ATOM 275 OE1 GLN A 16 10.621 4.299 -3.526 1.00 71.33 O ATOM 276 NE2 GLN A 16 11.980 2.727 -4.376 1.00 54.41 N ATOM 0 H GLN A 16 13.624 2.204 -0.369 1.00 2.24 H new ATOM 0 HA GLN A 16 12.269 4.389 1.098 1.00 41.14 H new ATOM 0 HB2 GLN A 16 10.667 4.314 -0.824 1.00 73.34 H new ATOM 0 HB3 GLN A 16 12.289 4.799 -1.278 1.00 73.34 H new ATOM 0 HG2 GLN A 16 12.722 2.402 -1.982 1.00 64.41 H new ATOM 0 HG3 GLN A 16 11.025 2.071 -1.694 1.00 64.41 H new ATOM 0 HE21 GLN A 16 12.616 1.950 -4.196 1.00 54.41 H new ATOM 0 HE22 GLN A 16 11.793 3.021 -5.335 1.00 54.41 H new ATOM 283 N MET A 17 11.291 1.277 0.589 1.00 30.13 N ATOM 284 CA MET A 17 10.420 0.224 1.100 1.00 41.40 C ATOM 285 C MET A 17 11.065 -0.487 2.285 1.00 73.55 C ATOM 286 O MET A 17 12.268 -0.743 2.289 1.00 0.33 O ATOM 287 CB MET A 17 10.104 -0.786 -0.005 1.00 23.25 C ATOM 288 CG MET A 17 8.713 -0.625 -0.595 1.00 64.23 C ATOM 289 SD MET A 17 8.717 -0.640 -2.399 1.00 21.34 S ATOM 290 CE MET A 17 7.270 -1.641 -2.732 1.00 61.33 C ATOM 0 H MET A 17 11.926 0.977 -0.151 1.00 30.13 H new ATOM 0 HA MET A 17 9.492 0.686 1.437 1.00 41.40 H new ATOM 0 HB2 MET A 17 10.842 -0.684 -0.801 1.00 23.25 H new ATOM 0 HB3 MET A 17 10.205 -1.795 0.396 1.00 23.25 H new ATOM 0 HG2 MET A 17 8.073 -1.428 -0.230 1.00 64.23 H new ATOM 0 HG3 MET A 17 8.280 0.312 -0.244 1.00 64.23 H new ATOM 0 HE1 MET A 17 7.208 -1.847 -3.801 1.00 61.33 H new ATOM 0 HE2 MET A 17 7.344 -2.581 -2.185 1.00 61.33 H new ATOM 0 HE3 MET A 17 6.376 -1.105 -2.413 1.00 61.33 H new ATOM 298 N SER A 18 10.255 -0.801 3.293 1.00 43.52 N ATOM 299 CA SER A 18 10.747 -1.479 4.486 1.00 71.14 C ATOM 300 C SER A 18 9.625 -2.251 5.173 1.00 32.30 C ATOM 301 O SER A 18 8.678 -1.660 5.693 1.00 3.05 O ATOM 302 CB SER A 18 11.355 -0.467 5.458 1.00 53.22 C ATOM 303 OG SER A 18 10.671 0.773 5.398 1.00 63.53 O ATOM 0 H SER A 18 9.256 -0.596 3.306 1.00 43.52 H new ATOM 0 HA SER A 18 11.517 -2.187 4.181 1.00 71.14 H new ATOM 0 HB2 SER A 18 11.311 -0.861 6.473 1.00 53.22 H new ATOM 0 HB3 SER A 18 12.408 -0.317 5.220 1.00 53.22 H new ATOM 0 HG SER A 18 9.731 0.617 5.170 1.00 63.53 H new ATOM 308 N ALA A 19 9.740 -3.575 5.172 1.00 42.23 N ATOM 309 CA ALA A 19 8.737 -4.429 5.796 1.00 35.41 C ATOM 310 C ALA A 19 9.331 -5.206 6.967 1.00 72.35 C ATOM 311 O ALA A 19 10.549 -5.318 7.097 1.00 4.53 O ATOM 312 CB ALA A 19 8.146 -5.386 4.772 1.00 33.22 C ATOM 0 H ALA A 19 10.518 -4.079 4.746 1.00 42.23 H new ATOM 0 HA ALA A 19 7.942 -3.791 6.181 1.00 35.41 H new ATOM 0 HB1 ALA A 19 7.399 -6.017 5.253 1.00 33.22 H new ATOM 0 HB2 ALA A 19 7.678 -4.816 3.969 1.00 33.22 H new ATOM 0 HB3 ALA A 19 8.938 -6.011 4.359 1.00 33.22 H new ATOM 318 N SER A 20 8.460 -5.738 7.820 1.00 3.44 N ATOM 319 CA SER A 20 8.899 -6.501 8.983 1.00 12.14 C ATOM 320 C SER A 20 9.892 -7.586 8.578 1.00 12.13 C ATOM 321 O SER A 20 10.885 -7.823 9.267 1.00 55.21 O ATOM 322 CB SER A 20 7.696 -7.131 9.689 1.00 1.44 C ATOM 323 OG SER A 20 7.549 -8.494 9.327 1.00 0.34 O ATOM 0 H SER A 20 7.448 -5.655 7.727 1.00 3.44 H new ATOM 0 HA SER A 20 9.397 -5.816 9.670 1.00 12.14 H new ATOM 0 HB2 SER A 20 7.820 -7.050 10.769 1.00 1.44 H new ATOM 0 HB3 SER A 20 6.790 -6.583 9.430 1.00 1.44 H new ATOM 0 HG SER A 20 6.775 -8.874 9.792 1.00 0.34 H new ATOM 328 N SER A 21 9.617 -8.243 7.456 1.00 15.12 N ATOM 329 CA SER A 21 10.484 -9.306 6.961 1.00 51.50 C ATOM 330 C SER A 21 10.012 -9.799 5.596 1.00 42.32 C ATOM 331 O SER A 21 8.846 -9.642 5.236 1.00 51.34 O ATOM 332 CB SER A 21 10.517 -10.470 7.953 1.00 51.43 C ATOM 333 OG SER A 21 11.516 -11.412 7.601 1.00 13.31 O ATOM 0 H SER A 21 8.801 -8.058 6.873 1.00 15.12 H new ATOM 0 HA SER A 21 11.490 -8.901 6.854 1.00 51.50 H new ATOM 0 HB2 SER A 21 10.708 -10.091 8.957 1.00 51.43 H new ATOM 0 HB3 SER A 21 9.543 -10.959 7.977 1.00 51.43 H new ATOM 0 HG SER A 21 11.966 -11.730 8.411 1.00 13.31 H new ATOM 338 N SER A 22 10.928 -10.397 4.841 1.00 10.54 N ATOM 339 CA SER A 22 10.608 -10.910 3.514 1.00 33.21 C ATOM 340 C SER A 22 10.939 -12.397 3.413 1.00 52.40 C ATOM 341 O SER A 22 11.488 -12.986 4.344 1.00 45.11 O ATOM 342 CB SER A 22 11.375 -10.131 2.443 1.00 32.53 C ATOM 343 OG SER A 22 12.406 -10.922 1.877 1.00 61.41 O ATOM 0 H SER A 22 11.897 -10.538 5.125 1.00 10.54 H new ATOM 0 HA SER A 22 9.538 -10.781 3.350 1.00 33.21 H new ATOM 0 HB2 SER A 22 10.688 -9.810 1.660 1.00 32.53 H new ATOM 0 HB3 SER A 22 11.803 -9.229 2.881 1.00 32.53 H new ATOM 0 HG SER A 22 12.664 -10.550 1.008 1.00 61.41 H new ATOM 348 N TYR A 23 10.602 -12.994 2.275 1.00 31.54 N ATOM 349 CA TYR A 23 10.861 -14.412 2.052 1.00 42.14 C ATOM 350 C TYR A 23 12.314 -14.757 2.364 1.00 70.13 C ATOM 351 O TYR A 23 12.617 -15.854 2.834 1.00 74.13 O ATOM 352 CB TYR A 23 10.534 -14.790 0.606 1.00 54.44 C ATOM 353 CG TYR A 23 10.994 -16.178 0.224 1.00 10.21 C ATOM 354 CD1 TYR A 23 10.795 -17.256 1.077 1.00 4.23 C ATOM 355 CD2 TYR A 23 11.627 -16.412 -0.991 1.00 34.22 C ATOM 356 CE1 TYR A 23 11.214 -18.527 0.732 1.00 74.21 C ATOM 357 CE2 TYR A 23 12.049 -17.679 -1.345 1.00 74.22 C ATOM 358 CZ TYR A 23 11.840 -18.733 -0.480 1.00 32.52 C ATOM 359 OH TYR A 23 12.258 -19.997 -0.827 1.00 11.32 O ATOM 0 H TYR A 23 10.150 -12.519 1.494 1.00 31.54 H new ATOM 0 HA TYR A 23 10.220 -14.982 2.724 1.00 42.14 H new ATOM 0 HB2 TYR A 23 9.457 -14.719 0.456 1.00 54.44 H new ATOM 0 HB3 TYR A 23 10.998 -14.066 -0.064 1.00 54.44 H new ATOM 0 HD1 TYR A 23 10.304 -17.098 2.026 1.00 4.23 H new ATOM 0 HD2 TYR A 23 11.792 -15.589 -1.670 1.00 34.22 H new ATOM 0 HE1 TYR A 23 11.052 -19.354 1.407 1.00 74.21 H new ATOM 0 HE2 TYR A 23 12.539 -17.843 -2.293 1.00 74.22 H new ATOM 0 HH TYR A 23 12.679 -19.971 -1.712 1.00 11.32 H new ATOM 534 N TYR A 34 16.147 -7.048 1.727 1.00 4.23 N ATOM 535 CA TYR A 34 15.100 -7.999 1.373 1.00 53.11 C ATOM 536 C TYR A 34 14.037 -7.339 0.500 1.00 74.25 C ATOM 537 O TYR A 34 13.778 -7.755 -0.629 1.00 33.33 O ATOM 538 CB TYR A 34 14.455 -8.571 2.636 1.00 73.24 C ATOM 539 CG TYR A 34 15.354 -8.526 3.851 1.00 13.40 C ATOM 540 CD1 TYR A 34 15.417 -7.393 4.652 1.00 74.44 C ATOM 541 CD2 TYR A 34 16.143 -9.616 4.196 1.00 1.34 C ATOM 542 CE1 TYR A 34 16.238 -7.346 5.762 1.00 63.20 C ATOM 543 CE2 TYR A 34 16.966 -9.580 5.305 1.00 15.41 C ATOM 544 CZ TYR A 34 17.011 -8.443 6.084 1.00 72.43 C ATOM 545 OH TYR A 34 17.830 -8.401 7.189 1.00 3.13 O ATOM 0 HA TYR A 34 15.557 -8.810 0.806 1.00 53.11 H new ATOM 0 HB2 TYR A 34 13.542 -8.016 2.850 1.00 73.24 H new ATOM 0 HB3 TYR A 34 14.164 -9.604 2.449 1.00 73.24 H new ATOM 0 HD1 TYR A 34 14.813 -6.533 4.402 1.00 74.44 H new ATOM 0 HD2 TYR A 34 16.112 -10.507 3.587 1.00 1.34 H new ATOM 0 HE1 TYR A 34 16.275 -6.457 6.374 1.00 63.20 H new ATOM 0 HE2 TYR A 34 17.571 -10.438 5.560 1.00 15.41 H new ATOM 0 HH TYR A 34 18.305 -9.253 7.276 1.00 3.13 H new ATOM 554 N PRO A 35 13.407 -6.282 1.035 1.00 44.23 N ATOM 555 CA PRO A 35 12.362 -5.539 0.323 1.00 2.34 C ATOM 556 C PRO A 35 12.919 -4.738 -0.850 1.00 0.20 C ATOM 557 O PRO A 35 14.035 -4.983 -1.309 1.00 20.34 O ATOM 558 CB PRO A 35 11.802 -4.601 1.393 1.00 32.41 C ATOM 559 CG PRO A 35 12.916 -4.427 2.366 1.00 12.24 C ATOM 560 CD PRO A 35 13.665 -5.731 2.376 1.00 51.20 C ATOM 0 HA PRO A 35 11.615 -6.202 -0.114 1.00 2.34 H new ATOM 0 HB2 PRO A 35 11.499 -3.646 0.963 1.00 32.41 H new ATOM 0 HB3 PRO A 35 10.921 -5.028 1.872 1.00 32.41 H new ATOM 0 HG2 PRO A 35 13.568 -3.605 2.070 1.00 12.24 H new ATOM 0 HG3 PRO A 35 12.534 -4.189 3.359 1.00 12.24 H new ATOM 0 HD2 PRO A 35 14.730 -5.581 2.551 1.00 51.20 H new ATOM 0 HD3 PRO A 35 13.304 -6.396 3.160 1.00 51.20 H new ATOM 565 N HIS A 36 12.134 -3.780 -1.330 1.00 52.42 N ATOM 566 CA HIS A 36 12.549 -2.941 -2.450 1.00 12.41 C ATOM 567 C HIS A 36 13.244 -3.773 -3.523 1.00 40.22 C ATOM 568 O HIS A 36 14.443 -3.621 -3.761 1.00 41.55 O ATOM 569 CB HIS A 36 13.482 -1.831 -1.964 1.00 50.44 C ATOM 570 CG HIS A 36 14.632 -2.331 -1.146 1.00 21.33 C ATOM 571 ND1 HIS A 36 14.596 -2.416 0.230 1.00 42.41 N ATOM 572 CD2 HIS A 36 15.856 -2.775 -1.517 1.00 53.11 C ATOM 573 CE1 HIS A 36 15.749 -2.889 0.670 1.00 23.11 C ATOM 574 NE2 HIS A 36 16.531 -3.116 -0.371 1.00 75.41 N ATOM 0 H HIS A 36 11.207 -3.565 -0.962 1.00 52.42 H new ATOM 0 HA HIS A 36 11.657 -2.491 -2.886 1.00 12.41 H new ATOM 0 HB2 HIS A 36 13.869 -1.289 -2.827 1.00 50.44 H new ATOM 0 HB3 HIS A 36 12.908 -1.119 -1.372 1.00 50.44 H new ATOM 0 HD2 HIS A 36 16.232 -2.848 -2.527 1.00 53.11 H new ATOM 0 HE1 HIS A 36 16.008 -3.061 1.704 1.00 23.11 H new ATOM 0 HE2 HIS A 36 17.481 -3.484 -0.330 1.00 75.41 H new ATOM 581 N LEU A 37 12.485 -4.653 -4.168 1.00 75.51 N ATOM 582 CA LEU A 37 13.028 -5.509 -5.216 1.00 23.54 C ATOM 583 C LEU A 37 12.386 -5.196 -6.563 1.00 74.33 C ATOM 584 O LEU A 37 12.973 -5.444 -7.615 1.00 31.12 O ATOM 585 CB LEU A 37 12.807 -6.981 -4.863 1.00 63.21 C ATOM 586 CG LEU A 37 13.163 -7.391 -3.434 1.00 13.44 C ATOM 587 CD1 LEU A 37 12.203 -8.455 -2.927 1.00 0.01 C ATOM 588 CD2 LEU A 37 14.600 -7.889 -3.365 1.00 12.12 C ATOM 0 H LEU A 37 11.492 -4.792 -3.983 1.00 75.51 H new ATOM 0 HA LEU A 37 14.098 -5.315 -5.291 1.00 23.54 H new ATOM 0 HB2 LEU A 37 11.758 -7.222 -5.038 1.00 63.21 H new ATOM 0 HB3 LEU A 37 13.393 -7.590 -5.551 1.00 63.21 H new ATOM 0 HG LEU A 37 13.071 -6.515 -2.792 1.00 13.44 H new ATOM 0 HD11 LEU A 37 12.473 -8.733 -1.908 1.00 0.01 H new ATOM 0 HD12 LEU A 37 11.186 -8.063 -2.938 1.00 0.01 H new ATOM 0 HD13 LEU A 37 12.260 -9.333 -3.570 1.00 0.01 H new ATOM 0 HD21 LEU A 37 14.837 -8.177 -2.341 1.00 12.12 H new ATOM 0 HD22 LEU A 37 14.718 -8.752 -4.021 1.00 12.12 H new ATOM 0 HD23 LEU A 37 15.276 -7.096 -3.684 1.00 12.12 H new ATOM 599 N GLY A 38 11.176 -4.644 -6.523 1.00 22.04 N ATOM 600 CA GLY A 38 10.476 -4.303 -7.747 1.00 71.01 C ATOM 601 C GLY A 38 11.106 -3.127 -8.467 1.00 70.35 C ATOM 602 O GLY A 38 11.381 -3.200 -9.665 1.00 34.14 O ATOM 0 H GLY A 38 10.669 -4.427 -5.665 1.00 22.04 H new ATOM 0 HA2 GLY A 38 10.467 -5.168 -8.410 1.00 71.01 H new ATOM 0 HA3 GLY A 38 9.437 -4.069 -7.515 1.00 71.01 H new ATOM 606 N ARG A 39 11.332 -2.040 -7.736 1.00 72.32 N ATOM 607 CA ARG A 39 11.930 -0.842 -8.313 1.00 3.11 C ATOM 608 C ARG A 39 11.458 -0.637 -9.750 1.00 3.35 C ATOM 609 O ARG A 39 10.372 -0.108 -9.989 1.00 15.15 O ATOM 610 CB ARG A 39 13.457 -0.940 -8.275 1.00 41.22 C ATOM 611 CG ARG A 39 13.977 -2.367 -8.348 1.00 13.43 C ATOM 612 CD ARG A 39 15.498 -2.403 -8.378 1.00 71.31 C ATOM 613 NE ARG A 39 16.034 -3.503 -7.581 1.00 4.03 N ATOM 614 CZ ARG A 39 17.333 -3.731 -7.424 1.00 21.31 C ATOM 615 NH1 ARG A 39 18.224 -2.939 -8.004 1.00 34.01 N ATOM 616 NH2 ARG A 39 17.744 -4.753 -6.683 1.00 22.30 N ATOM 0 H ARG A 39 11.110 -1.964 -6.743 1.00 72.32 H new ATOM 0 HA ARG A 39 11.613 0.015 -7.719 1.00 3.11 H new ATOM 0 HB2 ARG A 39 13.870 -0.369 -9.106 1.00 41.22 H new ATOM 0 HB3 ARG A 39 13.820 -0.476 -7.358 1.00 41.22 H new ATOM 0 HG2 ARG A 39 13.615 -2.932 -7.489 1.00 13.43 H new ATOM 0 HG3 ARG A 39 13.582 -2.854 -9.239 1.00 13.43 H new ATOM 0 HD2 ARG A 39 15.838 -2.503 -9.409 1.00 71.31 H new ATOM 0 HD3 ARG A 39 15.891 -1.458 -8.003 1.00 71.31 H new ATOM 0 HE ARG A 39 15.375 -4.130 -7.120 1.00 4.03 H new ATOM 0 HH11 ARG A 39 17.913 -2.152 -8.573 1.00 34.01 H new ATOM 0 HH12 ARG A 39 19.221 -3.117 -7.881 1.00 34.01 H new ATOM 0 HH21 ARG A 39 17.062 -5.364 -6.234 1.00 22.30 H new ATOM 0 HH22 ARG A 39 18.742 -4.927 -6.563 1.00 22.30 H new ATOM 627 N LEU A 40 12.282 -1.059 -10.704 1.00 24.43 N ATOM 628 CA LEU A 40 11.950 -0.922 -12.117 1.00 43.31 C ATOM 629 C LEU A 40 12.977 -1.637 -12.990 1.00 40.22 C ATOM 630 O LEU A 40 14.160 -1.297 -12.978 1.00 64.21 O ATOM 631 CB LEU A 40 11.877 0.556 -12.503 1.00 31.42 C ATOM 632 CG LEU A 40 11.566 0.852 -13.970 1.00 0.34 C ATOM 633 CD1 LEU A 40 10.290 1.668 -14.092 1.00 65.52 C ATOM 634 CD2 LEU A 40 12.731 1.581 -14.625 1.00 11.24 C ATOM 0 H LEU A 40 13.185 -1.499 -10.524 1.00 24.43 H new ATOM 0 HA LEU A 40 10.976 -1.383 -12.282 1.00 43.31 H new ATOM 0 HB2 LEU A 40 11.115 1.034 -11.887 1.00 31.42 H new ATOM 0 HB3 LEU A 40 12.829 1.024 -12.253 1.00 31.42 H new ATOM 0 HG LEU A 40 11.417 -0.096 -14.488 1.00 0.34 H new ATOM 0 HD11 LEU A 40 10.086 1.869 -15.144 1.00 65.52 H new ATOM 0 HD12 LEU A 40 9.459 1.110 -13.661 1.00 65.52 H new ATOM 0 HD13 LEU A 40 10.409 2.611 -13.559 1.00 65.52 H new ATOM 0 HD21 LEU A 40 12.493 1.784 -15.669 1.00 11.24 H new ATOM 0 HD22 LEU A 40 12.911 2.522 -14.104 1.00 11.24 H new ATOM 0 HD23 LEU A 40 13.625 0.960 -14.571 1.00 11.24 H new ATOM 645 N ASP A 41 12.516 -2.627 -13.747 1.00 31.43 N ATOM 646 CA ASP A 41 13.393 -3.389 -14.627 1.00 52.43 C ATOM 647 C ASP A 41 14.426 -4.171 -13.823 1.00 33.33 C ATOM 648 O ASP A 41 15.628 -3.932 -13.938 1.00 65.42 O ATOM 649 CB ASP A 41 14.098 -2.453 -15.613 1.00 61.54 C ATOM 650 CG ASP A 41 14.623 -3.186 -16.831 1.00 52.11 C ATOM 651 OD1 ASP A 41 13.829 -3.889 -17.491 1.00 72.24 O ATOM 652 OD2 ASP A 41 15.830 -3.057 -17.126 1.00 40.11 O ATOM 0 H ASP A 41 11.539 -2.920 -13.768 1.00 31.43 H new ATOM 0 HA ASP A 41 12.781 -4.099 -15.184 1.00 52.43 H new ATOM 0 HB2 ASP A 41 13.404 -1.676 -15.932 1.00 61.54 H new ATOM 0 HB3 ASP A 41 14.925 -1.954 -15.108 1.00 61.54 H new ATOM 656 N ASN A 42 13.950 -5.105 -13.007 1.00 64.14 N ATOM 657 CA ASN A 42 14.832 -5.922 -12.181 1.00 43.04 C ATOM 658 C ASN A 42 15.935 -6.554 -13.025 1.00 53.24 C ATOM 659 O ASN A 42 15.902 -6.493 -14.253 1.00 55.10 O ATOM 660 CB ASN A 42 14.031 -7.014 -11.469 1.00 35.52 C ATOM 661 CG ASN A 42 13.679 -8.167 -12.388 1.00 13.01 C ATOM 662 OD1 ASN A 42 14.287 -9.235 -12.324 1.00 2.15 O ATOM 663 ND2 ASN A 42 12.692 -7.956 -13.251 1.00 53.20 N ATOM 0 H ASN A 42 12.958 -5.315 -12.900 1.00 64.14 H new ATOM 0 HA ASN A 42 15.294 -5.275 -11.435 1.00 43.04 H new ATOM 0 HB2 ASN A 42 14.607 -7.390 -10.624 1.00 35.52 H new ATOM 0 HB3 ASN A 42 13.115 -6.583 -11.064 1.00 35.52 H new ATOM 0 HD21 ASN A 42 12.411 -8.695 -13.895 1.00 53.20 H new ATOM 0 HD22 ASN A 42 12.215 -7.055 -13.270 1.00 53.20 H new ATOM 669 N GLN A 43 16.910 -7.161 -12.355 1.00 71.14 N ATOM 670 CA GLN A 43 18.023 -7.804 -13.044 1.00 34.50 C ATOM 671 C GLN A 43 18.052 -9.300 -12.751 1.00 24.35 C ATOM 672 O GLN A 43 18.666 -10.074 -13.484 1.00 3.25 O ATOM 673 CB GLN A 43 19.347 -7.164 -12.623 1.00 10.02 C ATOM 674 CG GLN A 43 19.428 -6.852 -11.138 1.00 32.20 C ATOM 675 CD GLN A 43 20.736 -6.193 -10.750 1.00 12.13 C ATOM 676 OE1 GLN A 43 20.796 -4.982 -10.538 1.00 53.33 O ATOM 677 NE2 GLN A 43 21.795 -6.989 -10.654 1.00 71.25 N ATOM 0 H GLN A 43 16.952 -7.221 -11.338 1.00 71.14 H new ATOM 0 HA GLN A 43 17.884 -7.665 -14.116 1.00 34.50 H new ATOM 0 HB2 GLN A 43 20.165 -7.833 -12.890 1.00 10.02 H new ATOM 0 HB3 GLN A 43 19.491 -6.243 -13.187 1.00 10.02 H new ATOM 0 HG2 GLN A 43 18.601 -6.198 -10.863 1.00 32.20 H new ATOM 0 HG3 GLN A 43 19.308 -7.774 -10.570 1.00 32.20 H new ATOM 0 HE21 GLN A 43 21.701 -7.988 -10.838 1.00 71.25 H new ATOM 0 HE22 GLN A 43 22.703 -6.602 -10.396 1.00 71.25 H new ATOM 684 N GLY A 44 17.383 -9.702 -11.675 1.00 21.20 N ATOM 685 CA GLY A 44 17.345 -11.104 -11.305 1.00 24.42 C ATOM 686 C GLY A 44 16.079 -11.794 -11.773 1.00 2.34 C ATOM 687 O GLY A 44 16.095 -12.537 -12.755 1.00 60.02 O ATOM 0 H GLY A 44 16.866 -9.081 -11.053 1.00 21.20 H new ATOM 0 HA2 GLY A 44 18.210 -11.612 -11.730 1.00 24.42 H new ATOM 0 HA3 GLY A 44 17.424 -11.193 -10.221 1.00 24.42 H new ATOM 691 N LYS A 45 14.979 -11.551 -11.070 1.00 74.13 N ATOM 692 CA LYS A 45 13.699 -12.153 -11.418 1.00 64.35 C ATOM 693 C LYS A 45 12.623 -11.769 -10.407 1.00 41.45 C ATOM 694 O LYS A 45 11.438 -11.716 -10.738 1.00 30.31 O ATOM 695 CB LYS A 45 13.829 -13.677 -11.484 1.00 11.31 C ATOM 696 CG LYS A 45 14.663 -14.264 -10.359 1.00 4.45 C ATOM 697 CD LYS A 45 13.895 -14.290 -9.050 1.00 54.02 C ATOM 698 CE LYS A 45 13.846 -15.691 -8.459 1.00 15.21 C ATOM 699 NZ LYS A 45 13.742 -15.662 -6.974 1.00 72.51 N ATOM 0 H LYS A 45 14.949 -10.940 -10.254 1.00 74.13 H new ATOM 0 HA LYS A 45 13.404 -11.776 -12.397 1.00 64.35 H new ATOM 0 HB2 LYS A 45 12.833 -14.120 -11.457 1.00 11.31 H new ATOM 0 HB3 LYS A 45 14.275 -13.954 -12.439 1.00 11.31 H new ATOM 0 HG2 LYS A 45 14.969 -15.276 -10.622 1.00 4.45 H new ATOM 0 HG3 LYS A 45 15.573 -13.678 -10.236 1.00 4.45 H new ATOM 0 HD2 LYS A 45 14.364 -13.610 -8.339 1.00 54.02 H new ATOM 0 HD3 LYS A 45 12.880 -13.928 -9.215 1.00 54.02 H new ATOM 0 HE2 LYS A 45 12.994 -16.230 -8.872 1.00 15.21 H new ATOM 0 HE3 LYS A 45 14.742 -16.240 -8.750 1.00 15.21 H new ATOM 0 HZ1 LYS A 45 13.711 -16.635 -6.609 1.00 72.51 H new ATOM 0 HZ2 LYS A 45 14.568 -15.170 -6.578 1.00 72.51 H new ATOM 0 HZ3 LYS A 45 12.874 -15.161 -6.697 1.00 72.51 H new ATOM 709 N ILE A 46 13.044 -11.499 -9.176 1.00 22.40 N ATOM 710 CA ILE A 46 12.116 -11.117 -8.119 1.00 30.04 C ATOM 711 C ILE A 46 11.198 -9.988 -8.575 1.00 31.31 C ATOM 712 O ILE A 46 10.017 -10.206 -8.845 1.00 33.32 O ATOM 713 CB ILE A 46 12.864 -10.673 -6.847 1.00 45.25 C ATOM 714 CG1 ILE A 46 13.826 -11.770 -6.387 1.00 33.04 C ATOM 715 CG2 ILE A 46 11.875 -10.331 -5.743 1.00 60.33 C ATOM 716 CD1 ILE A 46 15.267 -11.509 -6.767 1.00 4.21 C ATOM 0 H ILE A 46 14.021 -11.538 -8.886 1.00 22.40 H new ATOM 0 HA ILE A 46 11.518 -11.999 -7.890 1.00 30.04 H new ATOM 0 HB ILE A 46 13.444 -9.779 -7.077 1.00 45.25 H new ATOM 0 HG12 ILE A 46 13.757 -11.872 -5.304 1.00 33.04 H new ATOM 0 HG13 ILE A 46 13.512 -12.721 -6.817 1.00 33.04 H new ATOM 0 HG21 ILE A 46 12.419 -10.019 -4.851 1.00 60.33 H new ATOM 0 HG22 ILE A 46 11.226 -9.520 -6.074 1.00 60.33 H new ATOM 0 HG23 ILE A 46 11.271 -11.208 -5.511 1.00 60.33 H new ATOM 0 HD11 ILE A 46 15.892 -12.327 -6.409 1.00 4.21 H new ATOM 0 HD12 ILE A 46 15.350 -11.437 -7.851 1.00 4.21 H new ATOM 0 HD13 ILE A 46 15.599 -10.574 -6.315 1.00 4.21 H new ATOM 727 N ASN A 47 11.749 -8.782 -8.660 1.00 71.15 N ATOM 728 CA ASN A 47 10.979 -7.618 -9.085 1.00 22.34 C ATOM 729 C ASN A 47 9.670 -7.518 -8.307 1.00 5.04 C ATOM 730 O ASN A 47 8.636 -7.146 -8.860 1.00 53.33 O ATOM 731 CB ASN A 47 10.691 -7.693 -10.586 1.00 74.45 C ATOM 732 CG ASN A 47 10.380 -6.333 -11.181 1.00 50.34 C ATOM 733 OD1 ASN A 47 11.156 -5.388 -11.040 1.00 25.53 O ATOM 734 ND2 ASN A 47 9.239 -6.229 -11.853 1.00 51.51 N ATOM 0 H ASN A 47 12.725 -8.585 -8.440 1.00 71.15 H new ATOM 0 HA ASN A 47 11.571 -6.726 -8.880 1.00 22.34 H new ATOM 0 HB2 ASN A 47 11.552 -8.123 -11.098 1.00 74.45 H new ATOM 0 HB3 ASN A 47 9.850 -8.364 -10.759 1.00 74.45 H new ATOM 0 HD21 ASN A 47 8.976 -5.339 -12.277 1.00 51.51 H new ATOM 0 HD22 ASN A 47 8.626 -7.039 -11.945 1.00 51.51 H new ATOM 740 N ALA A 48 9.724 -7.855 -7.023 1.00 12.01 N ATOM 741 CA ALA A 48 8.544 -7.801 -6.169 1.00 50.30 C ATOM 742 C ALA A 48 8.870 -8.262 -4.753 1.00 62.52 C ATOM 743 O ALA A 48 9.498 -9.302 -4.558 1.00 34.01 O ATOM 744 CB ALA A 48 7.426 -8.648 -6.759 1.00 22.55 C ATOM 0 H ALA A 48 10.572 -8.168 -6.551 1.00 12.01 H new ATOM 0 HA ALA A 48 8.210 -6.765 -6.117 1.00 50.30 H new ATOM 0 HB1 ALA A 48 6.551 -8.598 -6.111 1.00 22.55 H new ATOM 0 HB2 ALA A 48 7.167 -8.270 -7.748 1.00 22.55 H new ATOM 0 HB3 ALA A 48 7.758 -9.683 -6.841 1.00 22.55 H new ATOM 750 N TRP A 49 8.438 -7.482 -3.768 1.00 50.22 N ATOM 751 CA TRP A 49 8.685 -7.811 -2.369 1.00 43.01 C ATOM 752 C TRP A 49 7.790 -8.959 -1.913 1.00 10.32 C ATOM 753 O TRP A 49 6.584 -8.955 -2.162 1.00 22.15 O ATOM 754 CB TRP A 49 8.450 -6.584 -1.486 1.00 4.04 C ATOM 755 CG TRP A 49 8.185 -6.927 -0.051 1.00 32.03 C ATOM 756 CD1 TRP A 49 9.106 -7.303 0.884 1.00 31.44 C ATOM 757 CD2 TRP A 49 6.915 -6.925 0.610 1.00 25.03 C ATOM 758 NE1 TRP A 49 8.484 -7.537 2.088 1.00 15.10 N ATOM 759 CE2 TRP A 49 7.141 -7.311 1.946 1.00 2.11 C ATOM 760 CE3 TRP A 49 5.611 -6.634 0.203 1.00 34.42 C ATOM 761 CZ2 TRP A 49 6.109 -7.413 2.875 1.00 41.10 C ATOM 762 CZ3 TRP A 49 4.587 -6.736 1.127 1.00 14.30 C ATOM 763 CH2 TRP A 49 4.841 -7.122 2.450 1.00 70.53 C ATOM 0 H TRP A 49 7.915 -6.618 -3.912 1.00 50.22 H new ATOM 0 HA TRP A 49 9.724 -8.125 -2.274 1.00 43.01 H new ATOM 0 HB2 TRP A 49 9.322 -5.933 -1.541 1.00 4.04 H new ATOM 0 HB3 TRP A 49 7.605 -6.019 -1.879 1.00 4.04 H new ATOM 0 HD1 TRP A 49 10.166 -7.402 0.705 1.00 31.44 H new ATOM 0 HE1 TRP A 49 8.948 -7.831 2.947 1.00 15.10 H new ATOM 0 HE3 TRP A 49 5.406 -6.335 -0.814 1.00 34.42 H new ATOM 0 HZ2 TRP A 49 6.302 -7.711 3.895 1.00 41.10 H new ATOM 0 HZ3 TRP A 49 3.574 -6.514 0.824 1.00 14.30 H new ATOM 0 HH2 TRP A 49 4.020 -7.191 3.148 1.00 70.53 H new ATOM 773 N THR A 50 8.388 -9.940 -1.245 1.00 3.01 N ATOM 774 CA THR A 50 7.644 -11.095 -0.756 1.00 34.04 C ATOM 775 C THR A 50 7.590 -11.107 0.767 1.00 63.41 C ATOM 776 O THR A 50 8.350 -10.404 1.432 1.00 54.23 O ATOM 777 CB THR A 50 8.270 -12.414 -1.247 1.00 23.13 C ATOM 778 OG1 THR A 50 8.941 -12.204 -2.494 1.00 42.52 O ATOM 779 CG2 THR A 50 7.206 -13.488 -1.413 1.00 62.23 C ATOM 0 H THR A 50 9.385 -9.958 -1.030 1.00 3.01 H new ATOM 0 HA THR A 50 6.632 -11.012 -1.153 1.00 34.04 H new ATOM 0 HB THR A 50 8.990 -12.749 -0.500 1.00 23.13 H new ATOM 0 HG1 THR A 50 9.338 -13.047 -2.798 1.00 42.52 H new ATOM 0 HG21 THR A 50 7.671 -14.410 -1.760 1.00 62.23 H new ATOM 0 HG22 THR A 50 6.717 -13.667 -0.455 1.00 62.23 H new ATOM 0 HG23 THR A 50 6.466 -13.158 -2.142 1.00 62.23 H new ATOM 787 N ALA A 51 6.685 -11.914 1.315 1.00 53.30 N ATOM 788 CA ALA A 51 6.533 -12.020 2.761 1.00 2.20 C ATOM 789 C ALA A 51 7.521 -13.025 3.345 1.00 52.41 C ATOM 790 O ALA A 51 8.038 -13.884 2.632 1.00 12.44 O ATOM 791 CB ALA A 51 5.106 -12.413 3.114 1.00 3.25 C ATOM 0 H ALA A 51 6.047 -12.503 0.779 1.00 53.30 H new ATOM 0 HA ALA A 51 6.748 -11.044 3.197 1.00 2.20 H new ATOM 0 HB1 ALA A 51 5.007 -12.489 4.197 1.00 3.25 H new ATOM 0 HB2 ALA A 51 4.417 -11.657 2.738 1.00 3.25 H new ATOM 0 HB3 ALA A 51 4.871 -13.376 2.660 1.00 3.25 H new ATOM 797 N GLN A 52 7.778 -12.909 4.643 1.00 62.00 N ATOM 798 CA GLN A 52 8.705 -13.807 5.321 1.00 22.41 C ATOM 799 C GLN A 52 7.999 -15.085 5.764 1.00 20.01 C ATOM 800 O GLN A 52 8.489 -16.190 5.527 1.00 74.22 O ATOM 801 CB GLN A 52 9.331 -13.112 6.531 1.00 55.54 C ATOM 802 CG GLN A 52 10.192 -14.029 7.383 1.00 12.24 C ATOM 803 CD GLN A 52 11.314 -14.674 6.593 1.00 11.11 C ATOM 804 OE1 GLN A 52 11.080 -15.557 5.768 1.00 41.10 O ATOM 805 NE2 GLN A 52 12.543 -14.236 6.843 1.00 32.51 N ATOM 0 H GLN A 52 7.358 -12.202 5.246 1.00 62.00 H new ATOM 0 HA GLN A 52 9.493 -14.073 4.616 1.00 22.41 H new ATOM 0 HB2 GLN A 52 9.938 -12.276 6.185 1.00 55.54 H new ATOM 0 HB3 GLN A 52 8.537 -12.694 7.150 1.00 55.54 H new ATOM 0 HG2 GLN A 52 10.616 -13.459 8.210 1.00 12.24 H new ATOM 0 HG3 GLN A 52 9.566 -14.807 7.820 1.00 12.24 H new ATOM 0 HE21 GLN A 52 12.692 -13.502 7.535 1.00 32.51 H new ATOM 0 HE22 GLN A 52 13.338 -14.634 6.343 1.00 32.51 H new ATOM 812 N SER A 53 6.847 -14.927 6.407 1.00 33.05 N ATOM 813 CA SER A 53 6.076 -16.068 6.887 1.00 15.14 C ATOM 814 C SER A 53 4.907 -16.365 5.954 1.00 53.14 C ATOM 815 O SER A 53 3.965 -17.063 6.324 1.00 52.32 O ATOM 816 CB SER A 53 5.560 -15.802 8.303 1.00 4.21 C ATOM 817 OG SER A 53 5.727 -16.942 9.128 1.00 33.22 O ATOM 0 H SER A 53 6.427 -14.020 6.608 1.00 33.05 H new ATOM 0 HA SER A 53 6.733 -16.938 6.905 1.00 15.14 H new ATOM 0 HB2 SER A 53 6.093 -14.955 8.735 1.00 4.21 H new ATOM 0 HB3 SER A 53 4.506 -15.528 8.264 1.00 4.21 H new ATOM 0 HG SER A 53 5.391 -16.747 10.028 1.00 33.22 H new ATOM 822 N ASN A 54 4.976 -15.827 4.740 1.00 60.30 N ATOM 823 CA ASN A 54 3.922 -16.033 3.752 1.00 15.30 C ATOM 824 C ASN A 54 2.544 -15.933 4.398 1.00 41.42 C ATOM 825 O ASN A 54 1.630 -16.681 4.053 1.00 3.12 O ATOM 826 CB ASN A 54 4.086 -17.397 3.079 1.00 40.51 C ATOM 827 CG ASN A 54 3.865 -18.547 4.042 1.00 11.32 C ATOM 828 OD1 ASN A 54 4.943 -19.015 4.662 1.00 10.42 O flip ATOM 829 ND2 ASN A 54 2.739 -19.010 4.228 1.00 42.22 N flip ATOM 0 H ASN A 54 5.750 -15.246 4.417 1.00 60.30 H new ATOM 0 HA ASN A 54 4.007 -15.251 2.998 1.00 15.30 H new ATOM 0 HB2 ASN A 54 3.380 -17.478 2.252 1.00 40.51 H new ATOM 0 HB3 ASN A 54 5.086 -17.471 2.653 1.00 40.51 H new ATOM 0 HD21 ASN A 54 1.939 -18.620 3.730 1.00 42.22 H new ATOM 0 HD22 ASN A 54 2.607 -19.783 4.880 1.00 42.22 H new ATOM 835 N SER A 55 2.402 -15.004 5.338 1.00 41.22 N ATOM 836 CA SER A 55 1.137 -14.808 6.034 1.00 31.20 C ATOM 837 C SER A 55 0.718 -13.341 5.997 1.00 73.41 C ATOM 838 O SER A 55 1.422 -12.496 5.448 1.00 4.55 O ATOM 839 CB SER A 55 1.250 -15.282 7.485 1.00 51.22 C ATOM 840 OG SER A 55 0.024 -15.827 7.940 1.00 63.53 O ATOM 0 H SER A 55 3.148 -14.375 5.635 1.00 41.22 H new ATOM 0 HA SER A 55 0.375 -15.398 5.525 1.00 31.20 H new ATOM 0 HB2 SER A 55 2.037 -16.032 7.566 1.00 51.22 H new ATOM 0 HB3 SER A 55 1.539 -14.446 8.122 1.00 51.22 H new ATOM 0 HG SER A 55 0.123 -16.124 8.869 1.00 63.53 H new ATOM 845 N ALA A 56 -0.437 -13.047 6.589 1.00 2.43 N ATOM 846 CA ALA A 56 -0.950 -11.684 6.626 1.00 0.32 C ATOM 847 C ALA A 56 -0.357 -10.905 7.796 1.00 64.20 C ATOM 848 O ALA A 56 -0.457 -9.680 7.855 1.00 60.01 O ATOM 849 CB ALA A 56 -2.469 -11.693 6.712 1.00 44.11 C ATOM 0 H ALA A 56 -1.033 -13.735 7.049 1.00 2.43 H new ATOM 0 HA ALA A 56 -0.652 -11.186 5.703 1.00 0.32 H new ATOM 0 HB1 ALA A 56 -2.838 -10.668 6.739 1.00 44.11 H new ATOM 0 HB2 ALA A 56 -2.880 -12.204 5.841 1.00 44.11 H new ATOM 0 HB3 ALA A 56 -2.779 -12.214 7.618 1.00 44.11 H new ATOM 855 N LYS A 57 0.262 -11.626 8.727 1.00 41.34 N ATOM 856 CA LYS A 57 0.871 -11.004 9.895 1.00 35.32 C ATOM 857 C LYS A 57 1.996 -10.059 9.484 1.00 11.04 C ATOM 858 O LYS A 57 2.423 -9.211 10.267 1.00 22.31 O ATOM 859 CB LYS A 57 1.413 -12.075 10.844 1.00 60.50 C ATOM 860 CG LYS A 57 2.679 -12.747 10.344 1.00 25.54 C ATOM 861 CD LYS A 57 2.672 -14.239 10.636 1.00 11.03 C ATOM 862 CE LYS A 57 3.231 -14.539 12.018 1.00 14.13 C ATOM 863 NZ LYS A 57 4.700 -14.304 12.086 1.00 13.30 N ATOM 0 H LYS A 57 0.354 -12.641 8.694 1.00 41.34 H new ATOM 0 HA LYS A 57 0.103 -10.426 10.409 1.00 35.32 H new ATOM 0 HB2 LYS A 57 1.612 -11.621 11.815 1.00 60.50 H new ATOM 0 HB3 LYS A 57 0.646 -12.834 10.998 1.00 60.50 H new ATOM 0 HG2 LYS A 57 2.778 -12.586 9.270 1.00 25.54 H new ATOM 0 HG3 LYS A 57 3.547 -12.287 10.816 1.00 25.54 H new ATOM 0 HD2 LYS A 57 1.653 -14.620 10.564 1.00 11.03 H new ATOM 0 HD3 LYS A 57 3.262 -14.761 9.883 1.00 11.03 H new ATOM 0 HE2 LYS A 57 2.729 -13.914 12.756 1.00 14.13 H new ATOM 0 HE3 LYS A 57 3.017 -15.575 12.279 1.00 14.13 H new ATOM 0 HZ1 LYS A 57 5.097 -14.822 12.896 1.00 13.30 H new ATOM 0 HZ2 LYS A 57 5.146 -14.639 11.208 1.00 13.30 H new ATOM 0 HZ3 LYS A 57 4.884 -13.287 12.201 1.00 13.30 H new ATOM 873 N GLU A 58 2.470 -10.211 8.252 1.00 62.01 N ATOM 874 CA GLU A 58 3.545 -9.370 7.738 1.00 21.24 C ATOM 875 C GLU A 58 3.009 -8.011 7.296 1.00 62.43 C ATOM 876 O GLU A 58 1.875 -7.902 6.828 1.00 1.44 O ATOM 877 CB GLU A 58 4.247 -10.059 6.566 1.00 23.10 C ATOM 878 CG GLU A 58 5.572 -10.701 6.943 1.00 44.24 C ATOM 879 CD GLU A 58 5.480 -11.530 8.209 1.00 62.41 C ATOM 880 OE1 GLU A 58 5.591 -10.948 9.308 1.00 24.44 O ATOM 881 OE2 GLU A 58 5.296 -12.761 8.100 1.00 11.23 O ATOM 0 H GLU A 58 2.127 -10.908 7.591 1.00 62.01 H new ATOM 0 HA GLU A 58 4.265 -9.214 8.542 1.00 21.24 H new ATOM 0 HB2 GLU A 58 3.586 -10.823 6.156 1.00 23.10 H new ATOM 0 HB3 GLU A 58 4.419 -9.328 5.776 1.00 23.10 H new ATOM 0 HG2 GLU A 58 5.911 -11.334 6.123 1.00 44.24 H new ATOM 0 HG3 GLU A 58 6.323 -9.923 7.077 1.00 44.24 H new ATOM 886 N TRP A 59 3.831 -6.979 7.448 1.00 65.11 N ATOM 887 CA TRP A 59 3.439 -5.628 7.065 1.00 20.14 C ATOM 888 C TRP A 59 4.600 -4.891 6.407 1.00 12.23 C ATOM 889 O TRP A 59 5.740 -4.969 6.868 1.00 24.03 O ATOM 890 CB TRP A 59 2.953 -4.849 8.289 1.00 24.30 C ATOM 891 CG TRP A 59 3.840 -5.011 9.486 1.00 63.23 C ATOM 892 CD1 TRP A 59 5.099 -4.508 9.647 1.00 32.23 C ATOM 893 CD2 TRP A 59 3.533 -5.726 10.689 1.00 10.45 C ATOM 894 NE1 TRP A 59 5.594 -4.867 10.878 1.00 11.33 N ATOM 895 CE2 TRP A 59 4.653 -5.614 11.536 1.00 4.42 C ATOM 896 CE3 TRP A 59 2.423 -6.448 11.133 1.00 44.33 C ATOM 897 CZ2 TRP A 59 4.692 -6.198 12.800 1.00 3.41 C ATOM 898 CZ3 TRP A 59 2.462 -7.027 12.387 1.00 0.22 C ATOM 899 CH2 TRP A 59 3.591 -6.899 13.208 1.00 71.42 C ATOM 0 H TRP A 59 4.773 -7.052 7.834 1.00 65.11 H new ATOM 0 HA TRP A 59 2.625 -5.703 6.344 1.00 20.14 H new ATOM 0 HB2 TRP A 59 2.887 -3.791 8.035 1.00 24.30 H new ATOM 0 HB3 TRP A 59 1.946 -5.179 8.544 1.00 24.30 H new ATOM 0 HD1 TRP A 59 5.628 -3.915 8.915 1.00 32.23 H new ATOM 0 HE1 TRP A 59 6.513 -4.618 11.243 1.00 11.33 H new ATOM 0 HE3 TRP A 59 1.549 -6.552 10.507 1.00 44.33 H new ATOM 0 HZ2 TRP A 59 5.560 -6.101 13.435 1.00 3.41 H new ATOM 0 HZ3 TRP A 59 1.609 -7.587 12.740 1.00 0.22 H new ATOM 0 HH2 TRP A 59 3.591 -7.364 14.183 1.00 71.42 H new ATOM 909 N LEU A 60 4.306 -4.174 5.328 1.00 71.22 N ATOM 910 CA LEU A 60 5.327 -3.421 4.607 1.00 23.44 C ATOM 911 C LEU A 60 5.049 -1.923 4.675 1.00 64.54 C ATOM 912 O LEU A 60 3.966 -1.467 4.310 1.00 23.01 O ATOM 913 CB LEU A 60 5.386 -3.875 3.147 1.00 33.41 C ATOM 914 CG LEU A 60 6.127 -2.946 2.185 1.00 73.10 C ATOM 915 CD1 LEU A 60 7.595 -2.840 2.569 1.00 52.03 C ATOM 916 CD2 LEU A 60 5.982 -3.436 0.752 1.00 31.10 C ATOM 0 H LEU A 60 3.369 -4.098 4.933 1.00 71.22 H new ATOM 0 HA LEU A 60 6.289 -3.614 5.081 1.00 23.44 H new ATOM 0 HB2 LEU A 60 5.860 -4.856 3.111 1.00 33.41 H new ATOM 0 HB3 LEU A 60 4.366 -4.001 2.785 1.00 33.41 H new ATOM 0 HG LEU A 60 5.682 -1.953 2.255 1.00 73.10 H new ATOM 0 HD11 LEU A 60 8.106 -2.175 1.873 1.00 52.03 H new ATOM 0 HD12 LEU A 60 7.679 -2.441 3.580 1.00 52.03 H new ATOM 0 HD13 LEU A 60 8.054 -3.828 2.530 1.00 52.03 H new ATOM 0 HD21 LEU A 60 6.516 -2.763 0.081 1.00 31.10 H new ATOM 0 HD22 LEU A 60 6.399 -4.439 0.667 1.00 31.10 H new ATOM 0 HD23 LEU A 60 4.927 -3.458 0.480 1.00 31.10 H new ATOM 927 N GLN A 61 6.035 -1.165 5.143 1.00 53.13 N ATOM 928 CA GLN A 61 5.896 0.283 5.257 1.00 3.23 C ATOM 929 C GLN A 61 6.973 0.998 4.447 1.00 21.52 C ATOM 930 O GLN A 61 8.119 0.553 4.392 1.00 55.22 O ATOM 931 CB GLN A 61 5.975 0.710 6.724 1.00 4.33 C ATOM 932 CG GLN A 61 7.269 0.299 7.408 1.00 13.32 C ATOM 933 CD GLN A 61 7.198 -1.093 8.004 1.00 13.31 C ATOM 934 OE1 GLN A 61 6.214 -1.809 7.822 1.00 72.23 O ATOM 935 NE2 GLN A 61 8.245 -1.484 8.722 1.00 3.52 N ATOM 0 H GLN A 61 6.938 -1.528 5.449 1.00 53.13 H new ATOM 0 HA GLN A 61 4.921 0.563 4.857 1.00 3.23 H new ATOM 0 HB2 GLN A 61 5.870 1.793 6.785 1.00 4.33 H new ATOM 0 HB3 GLN A 61 5.134 0.277 7.266 1.00 4.33 H new ATOM 0 HG2 GLN A 61 8.085 0.340 6.687 1.00 13.32 H new ATOM 0 HG3 GLN A 61 7.503 1.016 8.195 1.00 13.32 H new ATOM 0 HE21 GLN A 61 9.040 -0.858 8.847 1.00 3.52 H new ATOM 0 HE22 GLN A 61 8.254 -2.411 9.148 1.00 3.52 H new ATOM 942 N VAL A 62 6.595 2.109 3.821 1.00 24.44 N ATOM 943 CA VAL A 62 7.529 2.886 3.015 1.00 32.23 C ATOM 944 C VAL A 62 7.901 4.190 3.711 1.00 2.12 C ATOM 945 O VAL A 62 7.036 5.008 4.025 1.00 65.45 O ATOM 946 CB VAL A 62 6.940 3.206 1.629 1.00 2.53 C ATOM 947 CG1 VAL A 62 8.014 3.771 0.711 1.00 74.13 C ATOM 948 CG2 VAL A 62 6.307 1.965 1.019 1.00 64.15 C ATOM 0 H VAL A 62 5.650 2.490 3.857 1.00 24.44 H new ATOM 0 HA VAL A 62 8.424 2.277 2.890 1.00 32.23 H new ATOM 0 HB VAL A 62 6.163 3.961 1.749 1.00 2.53 H new ATOM 0 HG11 VAL A 62 7.580 3.991 -0.264 1.00 74.13 H new ATOM 0 HG12 VAL A 62 8.418 4.686 1.144 1.00 74.13 H new ATOM 0 HG13 VAL A 62 8.815 3.041 0.595 1.00 74.13 H new ATOM 0 HG21 VAL A 62 5.896 2.210 0.040 1.00 64.15 H new ATOM 0 HG22 VAL A 62 7.063 1.187 0.911 1.00 64.15 H new ATOM 0 HG23 VAL A 62 5.508 1.607 1.669 1.00 64.15 H new ATOM 958 N ASP A 63 9.195 4.379 3.949 1.00 65.35 N ATOM 959 CA ASP A 63 9.682 5.586 4.607 1.00 1.01 C ATOM 960 C ASP A 63 10.321 6.534 3.597 1.00 23.00 C ATOM 961 O ASP A 63 11.242 6.157 2.870 1.00 60.51 O ATOM 962 CB ASP A 63 10.693 5.225 5.697 1.00 1.22 C ATOM 963 CG ASP A 63 10.583 6.126 6.910 1.00 75.45 C ATOM 964 OD1 ASP A 63 10.877 7.333 6.782 1.00 21.33 O ATOM 965 OD2 ASP A 63 10.199 5.625 7.987 1.00 21.52 O ATOM 0 H ASP A 63 9.925 3.712 3.696 1.00 65.35 H new ATOM 0 HA ASP A 63 8.831 6.091 5.064 1.00 1.01 H new ATOM 0 HB2 ASP A 63 10.540 4.190 6.002 1.00 1.22 H new ATOM 0 HB3 ASP A 63 11.702 5.291 5.289 1.00 1.22 H new ATOM 969 N LEU A 64 9.827 7.766 3.556 1.00 14.41 N ATOM 970 CA LEU A 64 10.348 8.770 2.634 1.00 12.15 C ATOM 971 C LEU A 64 11.107 9.859 3.387 1.00 41.23 C ATOM 972 O LEU A 64 12.290 10.091 3.139 1.00 62.35 O ATOM 973 CB LEU A 64 9.208 9.392 1.827 1.00 20.45 C ATOM 974 CG LEU A 64 8.770 8.621 0.581 1.00 72.12 C ATOM 975 CD1 LEU A 64 8.272 7.234 0.959 1.00 10.41 C ATOM 976 CD2 LEU A 64 7.693 9.390 -0.170 1.00 43.20 C ATOM 0 H LEU A 64 9.066 8.094 4.151 1.00 14.41 H new ATOM 0 HA LEU A 64 11.040 8.276 1.951 1.00 12.15 H new ATOM 0 HB2 LEU A 64 8.344 9.504 2.483 1.00 20.45 H new ATOM 0 HB3 LEU A 64 9.510 10.394 1.522 1.00 20.45 H new ATOM 0 HG LEU A 64 9.633 8.508 -0.075 1.00 72.12 H new ATOM 0 HD11 LEU A 64 7.965 6.700 0.060 1.00 10.41 H new ATOM 0 HD12 LEU A 64 9.072 6.682 1.453 1.00 10.41 H new ATOM 0 HD13 LEU A 64 7.422 7.324 1.636 1.00 10.41 H new ATOM 0 HD21 LEU A 64 7.393 8.827 -1.054 1.00 43.20 H new ATOM 0 HD22 LEU A 64 6.829 9.534 0.479 1.00 43.20 H new ATOM 0 HD23 LEU A 64 8.084 10.361 -0.474 1.00 43.20 H new ATOM 987 N GLY A 65 10.417 10.523 4.310 1.00 61.23 N ATOM 988 CA GLY A 65 11.041 11.577 5.086 1.00 15.52 C ATOM 989 C GLY A 65 11.310 12.822 4.263 1.00 53.41 C ATOM 990 O GLY A 65 11.940 13.767 4.739 1.00 51.23 O ATOM 0 H GLY A 65 9.437 10.349 4.533 1.00 61.23 H new ATOM 0 HA2 GLY A 65 10.398 11.834 5.928 1.00 15.52 H new ATOM 0 HA3 GLY A 65 11.979 11.211 5.502 1.00 15.52 H new ATOM 994 N THR A 66 10.833 12.823 3.022 1.00 75.35 N ATOM 995 CA THR A 66 11.027 13.959 2.130 1.00 41.51 C ATOM 996 C THR A 66 9.730 14.737 1.939 1.00 0.03 C ATOM 997 O THR A 66 9.719 15.799 1.317 1.00 22.15 O ATOM 998 CB THR A 66 11.550 13.508 0.753 1.00 42.52 C ATOM 999 OG1 THR A 66 11.752 14.647 -0.091 1.00 40.04 O ATOM 1000 CG2 THR A 66 10.574 12.547 0.092 1.00 41.10 C ATOM 0 H THR A 66 10.310 12.049 2.612 1.00 75.35 H new ATOM 0 HA THR A 66 11.769 14.606 2.599 1.00 41.51 H new ATOM 0 HB THR A 66 12.499 12.993 0.900 1.00 42.52 H new ATOM 0 HG1 THR A 66 11.127 15.358 0.164 1.00 40.04 H new ATOM 0 HG21 THR A 66 10.965 12.242 -0.879 1.00 41.10 H new ATOM 0 HG22 THR A 66 10.445 11.668 0.723 1.00 41.10 H new ATOM 0 HG23 THR A 66 9.612 13.041 -0.043 1.00 41.10 H new ATOM 1008 N GLN A 67 8.640 14.200 2.478 1.00 53.42 N ATOM 1009 CA GLN A 67 7.337 14.845 2.365 1.00 75.55 C ATOM 1010 C GLN A 67 7.021 15.186 0.912 1.00 23.34 C ATOM 1011 O GLN A 67 7.222 16.317 0.472 1.00 34.20 O ATOM 1012 CB GLN A 67 7.297 16.114 3.219 1.00 53.34 C ATOM 1013 CG GLN A 67 5.899 16.685 3.396 1.00 1.00 C ATOM 1014 CD GLN A 67 5.813 17.671 4.543 1.00 60.52 C ATOM 1015 OE1 GLN A 67 6.747 17.804 5.335 1.00 21.31 O ATOM 1016 NE2 GLN A 67 4.687 18.371 4.641 1.00 4.24 N ATOM 0 H GLN A 67 8.633 13.322 2.996 1.00 53.42 H new ATOM 0 HA GLN A 67 6.582 14.147 2.727 1.00 75.55 H new ATOM 0 HB2 GLN A 67 7.718 15.895 4.200 1.00 53.34 H new ATOM 0 HB3 GLN A 67 7.934 16.870 2.761 1.00 53.34 H new ATOM 0 HG2 GLN A 67 5.593 17.179 2.474 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.197 15.870 3.569 1.00 1.00 H new ATOM 0 HE21 GLN A 67 3.938 18.230 3.963 1.00 4.24 H new ATOM 0 HE22 GLN A 67 4.572 19.050 5.394 1.00 4.24 H new ATOM 1023 N ARG A 68 6.527 14.198 0.173 1.00 70.34 N ATOM 1024 CA ARG A 68 6.184 14.393 -1.231 1.00 1.24 C ATOM 1025 C ARG A 68 4.702 14.128 -1.471 1.00 71.14 C ATOM 1026 O ARG A 68 4.075 13.356 -0.747 1.00 63.14 O ATOM 1027 CB ARG A 68 7.028 13.472 -2.115 1.00 43.33 C ATOM 1028 CG ARG A 68 8.426 14.003 -2.390 1.00 64.44 C ATOM 1029 CD ARG A 68 8.393 15.189 -3.341 1.00 32.24 C ATOM 1030 NE ARG A 68 9.708 15.808 -3.489 1.00 31.14 N ATOM 1031 CZ ARG A 68 9.900 17.007 -4.027 1.00 45.33 C ATOM 1032 NH1 ARG A 68 8.867 17.712 -4.468 1.00 51.00 N ATOM 1033 NH2 ARG A 68 11.127 17.502 -4.127 1.00 43.22 N ATOM 0 H ARG A 68 6.355 13.255 0.523 1.00 70.34 H new ATOM 0 HA ARG A 68 6.396 15.430 -1.491 1.00 1.24 H new ATOM 0 HB2 ARG A 68 7.107 12.496 -1.636 1.00 43.33 H new ATOM 0 HB3 ARG A 68 6.513 13.321 -3.064 1.00 43.33 H new ATOM 0 HG2 ARG A 68 8.895 14.300 -1.452 1.00 64.44 H new ATOM 0 HG3 ARG A 68 9.040 13.210 -2.816 1.00 64.44 H new ATOM 0 HD2 ARG A 68 8.035 14.861 -4.317 1.00 32.24 H new ATOM 0 HD3 ARG A 68 7.683 15.930 -2.973 1.00 32.24 H new ATOM 0 HE ARG A 68 10.524 15.291 -3.161 1.00 31.14 H new ATOM 0 HH11 ARG A 68 7.923 17.334 -4.394 1.00 51.00 H new ATOM 0 HH12 ARG A 68 9.017 18.633 -4.881 1.00 51.00 H new ATOM 0 HH21 ARG A 68 11.924 16.962 -3.791 1.00 43.22 H new ATOM 0 HH22 ARG A 68 11.273 18.423 -4.540 1.00 43.22 H new ATOM 1044 N GLN A 69 4.148 14.776 -2.492 1.00 70.40 N ATOM 1045 CA GLN A 69 2.738 14.611 -2.826 1.00 35.22 C ATOM 1046 C GLN A 69 2.557 13.570 -3.926 1.00 12.23 C ATOM 1047 O GLN A 69 3.046 13.741 -5.042 1.00 15.43 O ATOM 1048 CB GLN A 69 2.137 15.947 -3.267 1.00 74.32 C ATOM 1049 CG GLN A 69 0.869 15.801 -4.092 1.00 41.30 C ATOM 1050 CD GLN A 69 0.140 17.116 -4.280 1.00 31.32 C ATOM 1051 OE1 GLN A 69 0.049 17.926 -3.357 1.00 31.41 O ATOM 1052 NE2 GLN A 69 -0.384 17.336 -5.480 1.00 53.32 N ATOM 0 H GLN A 69 4.654 15.419 -3.101 1.00 70.40 H new ATOM 0 HA GLN A 69 2.217 14.264 -1.934 1.00 35.22 H new ATOM 0 HB2 GLN A 69 1.919 16.547 -2.384 1.00 74.32 H new ATOM 0 HB3 GLN A 69 2.878 16.495 -3.849 1.00 74.32 H new ATOM 0 HG2 GLN A 69 1.121 15.387 -5.068 1.00 41.30 H new ATOM 0 HG3 GLN A 69 0.204 15.088 -3.605 1.00 41.30 H new ATOM 0 HE21 GLN A 69 -0.284 16.637 -6.216 1.00 53.32 H new ATOM 0 HE22 GLN A 69 -0.886 18.204 -5.666 1.00 53.32 H new ATOM 1059 N VAL A 70 1.851 12.492 -3.603 1.00 22.44 N ATOM 1060 CA VAL A 70 1.605 11.423 -4.563 1.00 62.11 C ATOM 1061 C VAL A 70 0.432 11.764 -5.476 1.00 14.30 C ATOM 1062 O VAL A 70 -0.530 12.406 -5.055 1.00 62.22 O ATOM 1063 CB VAL A 70 1.318 10.086 -3.855 1.00 74.32 C ATOM 1064 CG1 VAL A 70 2.449 9.734 -2.901 1.00 24.32 C ATOM 1065 CG2 VAL A 70 -0.011 10.149 -3.118 1.00 65.23 C ATOM 0 H VAL A 70 1.439 12.336 -2.683 1.00 22.44 H new ATOM 0 HA VAL A 70 2.511 11.321 -5.161 1.00 62.11 H new ATOM 0 HB VAL A 70 1.253 9.302 -4.609 1.00 74.32 H new ATOM 0 HG11 VAL A 70 2.229 8.786 -2.410 1.00 24.32 H new ATOM 0 HG12 VAL A 70 3.381 9.646 -3.459 1.00 24.32 H new ATOM 0 HG13 VAL A 70 2.549 10.518 -2.150 1.00 24.32 H new ATOM 0 HG21 VAL A 70 -0.198 9.196 -2.623 1.00 65.23 H new ATOM 0 HG22 VAL A 70 0.023 10.944 -2.373 1.00 65.23 H new ATOM 0 HG23 VAL A 70 -0.812 10.352 -3.829 1.00 65.23 H new ATOM 1075 N THR A 71 0.519 11.329 -6.729 1.00 53.24 N ATOM 1076 CA THR A 71 -0.535 11.589 -7.703 1.00 22.43 C ATOM 1077 C THR A 71 -0.875 10.331 -8.493 1.00 24.10 C ATOM 1078 O THR A 71 -1.493 10.401 -9.555 1.00 21.01 O ATOM 1079 CB THR A 71 -0.130 12.705 -8.684 1.00 4.53 C ATOM 1080 OG1 THR A 71 1.226 13.098 -8.448 1.00 32.25 O ATOM 1081 CG2 THR A 71 -1.045 13.911 -8.539 1.00 54.53 C ATOM 0 H THR A 71 1.308 10.795 -7.094 1.00 53.24 H new ATOM 0 HA THR A 71 -1.413 11.910 -7.142 1.00 22.43 H new ATOM 0 HB THR A 71 -0.223 12.317 -9.698 1.00 4.53 H new ATOM 0 HG1 THR A 71 1.284 13.575 -7.594 1.00 32.25 H new ATOM 0 HG21 THR A 71 -0.740 14.686 -9.242 1.00 54.53 H new ATOM 0 HG22 THR A 71 -2.073 13.615 -8.749 1.00 54.53 H new ATOM 0 HG23 THR A 71 -0.979 14.297 -7.522 1.00 54.53 H new ATOM 1089 N GLY A 72 -0.468 9.179 -7.969 1.00 14.14 N ATOM 1090 CA GLY A 72 -0.738 7.921 -8.639 1.00 74.23 C ATOM 1091 C GLY A 72 0.087 6.778 -8.084 1.00 34.43 C ATOM 1092 O GLY A 72 1.092 7.001 -7.408 1.00 24.32 O ATOM 0 H GLY A 72 0.045 9.095 -7.091 1.00 14.14 H new ATOM 0 HA2 GLY A 72 -1.797 7.681 -8.541 1.00 74.23 H new ATOM 0 HA3 GLY A 72 -0.533 8.029 -9.704 1.00 74.23 H new ATOM 1096 N ILE A 73 -0.337 5.551 -8.367 1.00 73.42 N ATOM 1097 CA ILE A 73 0.370 4.369 -7.889 1.00 42.13 C ATOM 1098 C ILE A 73 0.176 3.192 -8.839 1.00 41.15 C ATOM 1099 O ILE A 73 -0.575 3.282 -9.811 1.00 73.42 O ATOM 1100 CB ILE A 73 -0.100 3.962 -6.481 1.00 65.22 C ATOM 1101 CG1 ILE A 73 -1.473 3.289 -6.553 1.00 4.12 C ATOM 1102 CG2 ILE A 73 -0.147 5.176 -5.566 1.00 63.25 C ATOM 1103 CD1 ILE A 73 -2.576 4.215 -7.013 1.00 61.51 C ATOM 0 H ILE A 73 -1.167 5.349 -8.925 1.00 73.42 H new ATOM 0 HA ILE A 73 1.428 4.629 -7.847 1.00 42.13 H new ATOM 0 HB ILE A 73 0.613 3.248 -6.068 1.00 65.22 H new ATOM 0 HG12 ILE A 73 -1.417 2.439 -7.233 1.00 4.12 H new ATOM 0 HG13 ILE A 73 -1.727 2.895 -5.569 1.00 4.12 H new ATOM 0 HG21 ILE A 73 -0.481 4.871 -4.574 1.00 63.25 H new ATOM 0 HG22 ILE A 73 0.848 5.616 -5.494 1.00 63.25 H new ATOM 0 HG23 ILE A 73 -0.841 5.912 -5.973 1.00 63.25 H new ATOM 0 HD11 ILE A 73 -3.520 3.671 -7.040 1.00 61.51 H new ATOM 0 HD12 ILE A 73 -2.660 5.053 -6.321 1.00 61.51 H new ATOM 0 HD13 ILE A 73 -2.344 4.590 -8.010 1.00 61.51 H new ATOM 1114 N ILE A 74 0.856 2.088 -8.550 1.00 25.04 N ATOM 1115 CA ILE A 74 0.756 0.891 -9.376 1.00 45.33 C ATOM 1116 C ILE A 74 1.158 -0.354 -8.593 1.00 14.45 C ATOM 1117 O ILE A 74 2.093 -0.322 -7.792 1.00 73.52 O ATOM 1118 CB ILE A 74 1.638 1.000 -10.634 1.00 53.20 C ATOM 1119 CG1 ILE A 74 1.708 -0.349 -11.353 1.00 62.13 C ATOM 1120 CG2 ILE A 74 3.032 1.481 -10.262 1.00 52.33 C ATOM 1121 CD1 ILE A 74 2.051 -0.234 -12.822 1.00 15.13 C ATOM 0 H ILE A 74 1.482 1.997 -7.750 1.00 25.04 H new ATOM 0 HA ILE A 74 -0.287 0.804 -9.680 1.00 45.33 H new ATOM 0 HB ILE A 74 1.192 1.728 -11.311 1.00 53.20 H new ATOM 0 HG12 ILE A 74 2.453 -0.975 -10.862 1.00 62.13 H new ATOM 0 HG13 ILE A 74 0.749 -0.856 -11.251 1.00 62.13 H new ATOM 0 HG21 ILE A 74 3.644 1.553 -11.161 1.00 52.33 H new ATOM 0 HG22 ILE A 74 2.965 2.461 -9.789 1.00 52.33 H new ATOM 0 HG23 ILE A 74 3.488 0.774 -9.569 1.00 52.33 H new ATOM 0 HD11 ILE A 74 2.083 -1.228 -13.267 1.00 15.13 H new ATOM 0 HD12 ILE A 74 1.293 0.365 -13.327 1.00 15.13 H new ATOM 0 HD13 ILE A 74 3.024 0.244 -12.932 1.00 15.13 H new ATOM 1132 N THR A 75 0.448 -1.452 -8.831 1.00 70.42 N ATOM 1133 CA THR A 75 0.731 -2.708 -8.148 1.00 13.42 C ATOM 1134 C THR A 75 0.881 -3.853 -9.144 1.00 62.42 C ATOM 1135 O THR A 75 0.156 -3.923 -10.136 1.00 73.10 O ATOM 1136 CB THR A 75 -0.378 -3.062 -7.139 1.00 64.22 C ATOM 1137 OG1 THR A 75 -0.221 -4.414 -6.693 1.00 74.13 O ATOM 1138 CG2 THR A 75 -1.754 -2.885 -7.764 1.00 15.21 C ATOM 0 H THR A 75 -0.328 -1.497 -9.492 1.00 70.42 H new ATOM 0 HA THR A 75 1.670 -2.571 -7.611 1.00 13.42 H new ATOM 0 HB THR A 75 -0.294 -2.387 -6.287 1.00 64.22 H new ATOM 0 HG1 THR A 75 -0.929 -4.631 -6.051 1.00 74.13 H new ATOM 0 HG21 THR A 75 -2.521 -3.141 -7.033 1.00 15.21 H new ATOM 0 HG22 THR A 75 -1.881 -1.848 -8.076 1.00 15.21 H new ATOM 0 HG23 THR A 75 -1.847 -3.539 -8.631 1.00 15.21 H new ATOM 1146 N GLN A 76 1.825 -4.748 -8.870 1.00 41.24 N ATOM 1147 CA GLN A 76 2.069 -5.890 -9.744 1.00 23.31 C ATOM 1148 C GLN A 76 2.526 -7.102 -8.939 1.00 3.31 C ATOM 1149 O GLN A 76 3.271 -6.971 -7.968 1.00 42.13 O ATOM 1150 CB GLN A 76 3.118 -5.537 -10.798 1.00 4.34 C ATOM 1151 CG GLN A 76 4.462 -5.140 -10.210 1.00 11.33 C ATOM 1152 CD GLN A 76 5.631 -5.763 -10.950 1.00 64.04 C ATOM 1153 OE1 GLN A 76 6.546 -5.066 -11.388 1.00 51.22 O ATOM 1154 NE2 GLN A 76 5.605 -7.082 -11.093 1.00 24.34 N ATOM 0 H GLN A 76 2.432 -4.705 -8.052 1.00 41.24 H new ATOM 0 HA GLN A 76 1.133 -6.140 -10.244 1.00 23.31 H new ATOM 0 HB2 GLN A 76 3.259 -6.392 -11.459 1.00 4.34 H new ATOM 0 HB3 GLN A 76 2.743 -4.718 -11.412 1.00 4.34 H new ATOM 0 HG2 GLN A 76 4.558 -4.055 -10.235 1.00 11.33 H new ATOM 0 HG3 GLN A 76 4.499 -5.440 -9.163 1.00 11.33 H new ATOM 0 HE21 GLN A 76 4.826 -7.621 -10.714 1.00 24.34 H new ATOM 0 HE22 GLN A 76 6.364 -7.557 -11.582 1.00 24.34 H new ATOM 1161 N GLY A 77 2.075 -8.284 -9.350 1.00 54.23 N ATOM 1162 CA GLY A 77 2.448 -9.503 -8.657 1.00 74.22 C ATOM 1163 C GLY A 77 3.728 -10.109 -9.196 1.00 54.33 C ATOM 1164 O GLY A 77 4.212 -9.711 -10.256 1.00 2.02 O ATOM 0 H GLY A 77 1.458 -8.418 -10.151 1.00 54.23 H new ATOM 0 HA2 GLY A 77 2.570 -9.290 -7.595 1.00 74.22 H new ATOM 0 HA3 GLY A 77 1.640 -10.229 -8.746 1.00 74.22 H new ATOM 1168 N ALA A 78 4.279 -11.072 -8.465 1.00 24.22 N ATOM 1169 CA ALA A 78 5.511 -11.734 -8.877 1.00 60.23 C ATOM 1170 C ALA A 78 5.295 -13.233 -9.056 1.00 43.33 C ATOM 1171 O ALA A 78 4.250 -13.768 -8.683 1.00 11.15 O ATOM 1172 CB ALA A 78 6.614 -11.475 -7.862 1.00 72.10 C ATOM 0 H ALA A 78 3.892 -11.411 -7.584 1.00 24.22 H new ATOM 0 HA ALA A 78 5.813 -11.320 -9.839 1.00 60.23 H new ATOM 0 HB1 ALA A 78 7.528 -11.975 -8.182 1.00 72.10 H new ATOM 0 HB2 ALA A 78 6.794 -10.403 -7.786 1.00 72.10 H new ATOM 0 HB3 ALA A 78 6.311 -11.861 -6.889 1.00 72.10 H new ATOM 1178 N ARG A 79 6.288 -13.905 -9.629 1.00 1.10 N ATOM 1179 CA ARG A 79 6.205 -15.342 -9.859 1.00 31.22 C ATOM 1180 C ARG A 79 7.516 -16.029 -9.485 1.00 72.03 C ATOM 1181 O ARG A 79 8.588 -15.431 -9.571 1.00 52.23 O ATOM 1182 CB ARG A 79 5.867 -15.628 -11.323 1.00 54.12 C ATOM 1183 CG ARG A 79 6.817 -14.965 -12.307 1.00 45.33 C ATOM 1184 CD ARG A 79 6.457 -15.308 -13.745 1.00 74.05 C ATOM 1185 NE ARG A 79 7.559 -15.961 -14.445 1.00 3.04 N ATOM 1186 CZ ARG A 79 7.485 -16.385 -15.702 1.00 71.45 C ATOM 1187 NH1 ARG A 79 6.366 -16.224 -16.393 1.00 64.54 N ATOM 1188 NH2 ARG A 79 8.532 -16.971 -16.269 1.00 32.31 N ATOM 0 H ARG A 79 7.159 -13.477 -9.942 1.00 1.10 H new ATOM 0 HA ARG A 79 5.412 -15.740 -9.226 1.00 31.22 H new ATOM 0 HB2 ARG A 79 5.881 -16.706 -11.487 1.00 54.12 H new ATOM 0 HB3 ARG A 79 4.851 -15.288 -11.526 1.00 54.12 H new ATOM 0 HG2 ARG A 79 6.787 -13.884 -12.171 1.00 45.33 H new ATOM 0 HG3 ARG A 79 7.838 -15.284 -12.100 1.00 45.33 H new ATOM 0 HD2 ARG A 79 5.584 -15.961 -13.754 1.00 74.05 H new ATOM 0 HD3 ARG A 79 6.179 -14.398 -14.276 1.00 74.05 H new ATOM 0 HE ARG A 79 8.435 -16.100 -13.941 1.00 3.04 H new ATOM 0 HH11 ARG A 79 5.560 -15.774 -15.960 1.00 64.54 H new ATOM 0 HH12 ARG A 79 6.311 -16.550 -17.358 1.00 64.54 H new ATOM 0 HH21 ARG A 79 9.395 -17.096 -15.740 1.00 32.31 H new ATOM 0 HH22 ARG A 79 8.474 -17.296 -17.234 1.00 32.31 H new ATOM 1199 N ASP A 80 7.421 -17.287 -9.070 1.00 63.43 N ATOM 1200 CA ASP A 80 8.598 -18.055 -8.683 1.00 63.40 C ATOM 1201 C ASP A 80 8.906 -19.135 -9.717 1.00 34.11 C ATOM 1202 O ASP A 80 8.808 -20.329 -9.430 1.00 43.41 O ATOM 1203 CB ASP A 80 8.389 -18.692 -7.309 1.00 25.32 C ATOM 1204 CG ASP A 80 9.635 -19.390 -6.798 1.00 73.34 C ATOM 1205 OD1 ASP A 80 10.643 -18.696 -6.549 1.00 63.02 O ATOM 1206 OD2 ASP A 80 9.602 -20.629 -6.648 1.00 21.34 O ATOM 0 H ASP A 80 6.541 -17.797 -8.993 1.00 63.43 H new ATOM 0 HA ASP A 80 9.446 -17.372 -8.633 1.00 63.40 H new ATOM 0 HB2 ASP A 80 8.089 -17.923 -6.597 1.00 25.32 H new ATOM 0 HB3 ASP A 80 7.571 -19.410 -7.365 1.00 25.32 H new ATOM 1210 N PHE A 81 9.277 -18.708 -10.919 1.00 55.33 N ATOM 1211 CA PHE A 81 9.597 -19.638 -11.996 1.00 54.42 C ATOM 1212 C PHE A 81 8.430 -20.584 -12.262 1.00 33.54 C ATOM 1213 O PHE A 81 8.395 -21.702 -11.748 1.00 42.20 O ATOM 1214 CB PHE A 81 10.852 -20.441 -11.648 1.00 52.23 C ATOM 1215 CG PHE A 81 12.048 -19.584 -11.346 1.00 60.52 C ATOM 1216 CD1 PHE A 81 12.755 -18.972 -12.368 1.00 71.13 C ATOM 1217 CD2 PHE A 81 12.464 -19.389 -10.039 1.00 23.25 C ATOM 1218 CE1 PHE A 81 13.856 -18.183 -12.092 1.00 43.31 C ATOM 1219 CE2 PHE A 81 13.565 -18.601 -9.757 1.00 63.41 C ATOM 1220 CZ PHE A 81 14.261 -17.997 -10.785 1.00 73.33 C ATOM 0 H PHE A 81 9.364 -17.724 -11.172 1.00 55.33 H new ATOM 0 HA PHE A 81 9.784 -19.059 -12.900 1.00 54.42 H new ATOM 0 HB2 PHE A 81 10.641 -21.073 -10.786 1.00 52.23 H new ATOM 0 HB3 PHE A 81 11.091 -21.104 -12.479 1.00 52.23 H new ATOM 0 HD1 PHE A 81 12.442 -19.113 -13.392 1.00 71.13 H new ATOM 0 HD2 PHE A 81 11.922 -19.858 -9.231 1.00 23.25 H new ATOM 0 HE1 PHE A 81 14.399 -17.712 -12.898 1.00 43.31 H new ATOM 0 HE2 PHE A 81 13.880 -18.458 -8.734 1.00 63.41 H new ATOM 0 HZ PHE A 81 15.120 -17.380 -10.567 1.00 73.33 H new ATOM 1229 N GLY A 82 7.477 -20.127 -13.067 1.00 45.13 N ATOM 1230 CA GLY A 82 6.321 -20.945 -13.387 1.00 74.12 C ATOM 1231 C GLY A 82 5.169 -20.722 -12.427 1.00 72.31 C ATOM 1232 O GLY A 82 4.012 -20.647 -12.840 1.00 43.55 O ATOM 0 H GLY A 82 7.484 -19.205 -13.504 1.00 45.13 H new ATOM 0 HA2 GLY A 82 5.992 -20.723 -14.402 1.00 74.12 H new ATOM 0 HA3 GLY A 82 6.607 -21.997 -13.368 1.00 74.12 H new ATOM 1236 N HIS A 83 5.485 -20.616 -11.140 1.00 54.23 N ATOM 1237 CA HIS A 83 4.467 -20.401 -10.118 1.00 52.12 C ATOM 1238 C HIS A 83 4.084 -18.925 -10.034 1.00 5.20 C ATOM 1239 O HIS A 83 4.947 -18.057 -9.914 1.00 15.41 O ATOM 1240 CB HIS A 83 4.968 -20.887 -8.759 1.00 35.51 C ATOM 1241 CG HIS A 83 4.077 -21.908 -8.122 1.00 32.44 C ATOM 1242 ND1 HIS A 83 3.372 -22.928 -8.663 1.00 2.55 N flip ATOM 1243 CD2 HIS A 83 3.828 -21.950 -6.765 1.00 22.41 C flip ATOM 1244 CE1 HIS A 83 2.718 -23.563 -7.636 1.00 20.53 C flip ATOM 1245 NE2 HIS A 83 3.011 -22.953 -6.501 1.00 33.52 N flip ATOM 0 H HIS A 83 6.438 -20.675 -10.780 1.00 54.23 H new ATOM 0 HA HIS A 83 3.582 -20.973 -10.396 1.00 52.12 H new ATOM 0 HB2 HIS A 83 5.965 -21.311 -8.879 1.00 35.51 H new ATOM 0 HB3 HIS A 83 5.064 -20.032 -8.089 1.00 35.51 H new ATOM 0 HD2 HIS A 83 4.237 -21.269 -6.034 1.00 22.41 H new ATOM 0 HE1 HIS A 83 2.070 -24.421 -7.739 1.00 20.53 H new ATOM 0 HE2 HIS A 83 2.665 -23.213 -5.577 1.00 33.52 H new ATOM 1252 N ILE A 84 2.786 -18.651 -10.100 1.00 65.11 N ATOM 1253 CA ILE A 84 2.289 -17.283 -10.032 1.00 33.22 C ATOM 1254 C ILE A 84 1.794 -16.947 -8.629 1.00 13.20 C ATOM 1255 O ILE A 84 0.901 -17.608 -8.102 1.00 65.21 O ATOM 1256 CB ILE A 84 1.147 -17.047 -11.038 1.00 2.12 C ATOM 1257 CG1 ILE A 84 1.526 -17.602 -12.412 1.00 41.21 C ATOM 1258 CG2 ILE A 84 0.822 -15.564 -11.131 1.00 54.34 C ATOM 1259 CD1 ILE A 84 0.822 -18.897 -12.756 1.00 52.51 C ATOM 0 H ILE A 84 2.059 -19.359 -10.201 1.00 65.11 H new ATOM 0 HA ILE A 84 3.125 -16.631 -10.286 1.00 33.22 H new ATOM 0 HB ILE A 84 0.259 -17.573 -10.687 1.00 2.12 H new ATOM 0 HG12 ILE A 84 1.292 -16.857 -13.173 1.00 41.21 H new ATOM 0 HG13 ILE A 84 2.603 -17.764 -12.445 1.00 41.21 H new ATOM 0 HG21 ILE A 84 0.013 -15.413 -11.846 1.00 54.34 H new ATOM 0 HG22 ILE A 84 0.514 -15.197 -10.152 1.00 54.34 H new ATOM 0 HG23 ILE A 84 1.705 -15.018 -11.462 1.00 54.34 H new ATOM 0 HD11 ILE A 84 1.139 -19.232 -13.744 1.00 52.51 H new ATOM 0 HD12 ILE A 84 1.076 -19.657 -12.017 1.00 52.51 H new ATOM 0 HD13 ILE A 84 -0.256 -18.736 -12.756 1.00 52.51 H new ATOM 1270 N GLN A 85 2.381 -15.915 -8.033 1.00 73.34 N ATOM 1271 CA GLN A 85 1.997 -15.490 -6.691 1.00 5.35 C ATOM 1272 C GLN A 85 1.570 -14.026 -6.685 1.00 34.23 C ATOM 1273 O GLN A 85 2.057 -13.224 -7.480 1.00 40.32 O ATOM 1274 CB GLN A 85 3.157 -15.700 -5.716 1.00 54.20 C ATOM 1275 CG GLN A 85 3.422 -17.161 -5.391 1.00 71.22 C ATOM 1276 CD GLN A 85 3.771 -17.978 -6.619 1.00 11.13 C ATOM 1277 OE1 GLN A 85 2.966 -18.995 -6.903 1.00 11.23 O flip ATOM 1278 NE2 GLN A 85 4.755 -17.699 -7.305 1.00 32.22 N flip ATOM 0 H GLN A 85 3.123 -15.358 -8.457 1.00 73.34 H new ATOM 0 HA GLN A 85 1.150 -16.097 -6.373 1.00 5.35 H new ATOM 0 HB2 GLN A 85 4.060 -15.261 -6.139 1.00 54.20 H new ATOM 0 HB3 GLN A 85 2.945 -15.163 -4.791 1.00 54.20 H new ATOM 0 HG2 GLN A 85 4.238 -17.227 -4.671 1.00 71.22 H new ATOM 0 HG3 GLN A 85 2.541 -17.589 -4.913 1.00 71.22 H new ATOM 0 HE21 GLN A 85 5.347 -16.908 -7.050 1.00 32.22 H new ATOM 0 HE22 GLN A 85 4.978 -18.259 -8.128 1.00 32.22 H new ATOM 1285 N TYR A 86 0.657 -13.686 -5.782 1.00 74.51 N ATOM 1286 CA TYR A 86 0.162 -12.319 -5.673 1.00 41.12 C ATOM 1287 C TYR A 86 -0.903 -12.210 -4.586 1.00 41.54 C ATOM 1288 O TYR A 86 -1.630 -13.166 -4.315 1.00 74.44 O ATOM 1289 CB TYR A 86 -0.411 -11.854 -7.013 1.00 61.23 C ATOM 1290 CG TYR A 86 -1.387 -12.831 -7.626 1.00 63.31 C ATOM 1291 CD1 TYR A 86 -0.951 -13.836 -8.481 1.00 34.21 C ATOM 1292 CD2 TYR A 86 -2.747 -12.751 -7.351 1.00 60.33 C ATOM 1293 CE1 TYR A 86 -1.840 -14.732 -9.044 1.00 14.40 C ATOM 1294 CE2 TYR A 86 -3.643 -13.643 -7.908 1.00 73.12 C ATOM 1295 CZ TYR A 86 -3.184 -14.631 -8.754 1.00 30.33 C ATOM 1296 OH TYR A 86 -4.073 -15.521 -9.312 1.00 72.43 O ATOM 0 H TYR A 86 0.245 -14.338 -5.115 1.00 74.51 H new ATOM 0 HA TYR A 86 1.000 -11.677 -5.401 1.00 41.12 H new ATOM 0 HB2 TYR A 86 -0.910 -10.895 -6.872 1.00 61.23 H new ATOM 0 HB3 TYR A 86 0.409 -11.687 -7.711 1.00 61.23 H new ATOM 0 HD1 TYR A 86 0.101 -13.918 -8.710 1.00 34.21 H new ATOM 0 HD2 TYR A 86 -3.110 -11.978 -6.690 1.00 60.33 H new ATOM 0 HE1 TYR A 86 -1.484 -15.507 -9.707 1.00 14.40 H new ATOM 0 HE2 TYR A 86 -4.696 -13.567 -7.682 1.00 73.12 H new ATOM 0 HH TYR A 86 -4.980 -15.313 -9.005 1.00 72.43 H new ATOM 1305 N VAL A 87 -0.990 -11.037 -3.967 1.00 13.22 N ATOM 1306 CA VAL A 87 -1.967 -10.799 -2.911 1.00 33.24 C ATOM 1307 C VAL A 87 -3.222 -10.133 -3.463 1.00 22.23 C ATOM 1308 O VAL A 87 -3.221 -9.610 -4.577 1.00 2.12 O ATOM 1309 CB VAL A 87 -1.381 -9.918 -1.792 1.00 11.23 C ATOM 1310 CG1 VAL A 87 0.139 -9.962 -1.818 1.00 22.44 C ATOM 1311 CG2 VAL A 87 -1.882 -8.488 -1.922 1.00 62.41 C ATOM 0 H VAL A 87 -0.395 -10.236 -4.179 1.00 13.22 H new ATOM 0 HA VAL A 87 -2.229 -11.773 -2.497 1.00 33.24 H new ATOM 0 HB VAL A 87 -1.716 -10.311 -0.832 1.00 11.23 H new ATOM 0 HG11 VAL A 87 0.535 -9.334 -1.020 1.00 22.44 H new ATOM 0 HG12 VAL A 87 0.476 -10.988 -1.672 1.00 22.44 H new ATOM 0 HG13 VAL A 87 0.497 -9.596 -2.780 1.00 22.44 H new ATOM 0 HG21 VAL A 87 -1.458 -7.880 -1.123 1.00 62.41 H new ATOM 0 HG22 VAL A 87 -1.578 -8.082 -2.887 1.00 62.41 H new ATOM 0 HG23 VAL A 87 -2.969 -8.475 -1.849 1.00 62.41 H new ATOM 1321 N ALA A 88 -4.292 -10.155 -2.675 1.00 3.00 N ATOM 1322 CA ALA A 88 -5.554 -9.551 -3.084 1.00 33.35 C ATOM 1323 C ALA A 88 -5.969 -8.443 -2.121 1.00 24.40 C ATOM 1324 O ALA A 88 -5.827 -7.259 -2.425 1.00 64.41 O ATOM 1325 CB ALA A 88 -6.642 -10.611 -3.173 1.00 71.04 C ATOM 0 H ALA A 88 -4.310 -10.585 -1.750 1.00 3.00 H new ATOM 0 HA ALA A 88 -5.414 -9.107 -4.069 1.00 33.35 H new ATOM 0 HB1 ALA A 88 -7.579 -10.146 -3.479 1.00 71.04 H new ATOM 0 HB2 ALA A 88 -6.355 -11.366 -3.905 1.00 71.04 H new ATOM 0 HB3 ALA A 88 -6.772 -11.081 -2.198 1.00 71.04 H new ATOM 1331 N SER A 89 -6.483 -8.837 -0.960 1.00 41.34 N ATOM 1332 CA SER A 89 -6.923 -7.877 0.045 1.00 14.21 C ATOM 1333 C SER A 89 -5.732 -7.296 0.800 1.00 14.03 C ATOM 1334 O SER A 89 -4.940 -8.030 1.394 1.00 44.42 O ATOM 1335 CB SER A 89 -7.889 -8.542 1.028 1.00 55.31 C ATOM 1336 OG SER A 89 -9.018 -7.719 1.269 1.00 10.22 O ATOM 0 H SER A 89 -6.605 -9.814 -0.693 1.00 41.34 H new ATOM 0 HA SER A 89 -7.438 -7.064 -0.466 1.00 14.21 H new ATOM 0 HB2 SER A 89 -8.214 -9.503 0.630 1.00 55.31 H new ATOM 0 HB3 SER A 89 -7.375 -8.744 1.968 1.00 55.31 H new ATOM 0 HG SER A 89 -9.621 -8.167 1.899 1.00 10.22 H new ATOM 1341 N TYR A 90 -5.611 -5.973 0.774 1.00 34.04 N ATOM 1342 CA TYR A 90 -4.514 -5.293 1.453 1.00 51.25 C ATOM 1343 C TYR A 90 -4.928 -3.889 1.885 1.00 50.12 C ATOM 1344 O TYR A 90 -5.658 -3.198 1.174 1.00 51.35 O ATOM 1345 CB TYR A 90 -3.289 -5.217 0.541 1.00 42.24 C ATOM 1346 CG TYR A 90 -3.539 -4.465 -0.748 1.00 72.54 C ATOM 1347 CD1 TYR A 90 -3.507 -3.076 -0.781 1.00 5.53 C ATOM 1348 CD2 TYR A 90 -3.807 -5.142 -1.930 1.00 24.40 C ATOM 1349 CE1 TYR A 90 -3.735 -2.385 -1.956 1.00 22.42 C ATOM 1350 CE2 TYR A 90 -4.036 -4.460 -3.110 1.00 35.33 C ATOM 1351 CZ TYR A 90 -3.999 -3.081 -3.117 1.00 42.10 C ATOM 1352 OH TYR A 90 -4.225 -2.397 -4.289 1.00 74.22 O ATOM 0 H TYR A 90 -6.259 -5.351 0.290 1.00 34.04 H new ATOM 0 HA TYR A 90 -4.260 -5.868 2.343 1.00 51.25 H new ATOM 0 HB2 TYR A 90 -2.474 -4.735 1.081 1.00 42.24 H new ATOM 0 HB3 TYR A 90 -2.960 -6.229 0.304 1.00 42.24 H new ATOM 0 HD1 TYR A 90 -3.301 -2.528 0.126 1.00 5.53 H new ATOM 0 HD2 TYR A 90 -3.837 -6.222 -1.927 1.00 24.40 H new ATOM 0 HE1 TYR A 90 -3.707 -1.305 -1.965 1.00 22.42 H new ATOM 0 HE2 TYR A 90 -4.243 -5.003 -4.020 1.00 35.33 H new ATOM 0 HH TYR A 90 -4.394 -3.035 -5.013 1.00 74.22 H new ATOM 1361 N LYS A 91 -4.457 -3.474 3.055 1.00 54.31 N ATOM 1362 CA LYS A 91 -4.775 -2.152 3.583 1.00 35.12 C ATOM 1363 C LYS A 91 -3.626 -1.178 3.341 1.00 31.23 C ATOM 1364 O LYS A 91 -2.562 -1.295 3.949 1.00 75.31 O ATOM 1365 CB LYS A 91 -5.077 -2.239 5.081 1.00 51.14 C ATOM 1366 CG LYS A 91 -6.192 -1.310 5.531 1.00 15.54 C ATOM 1367 CD LYS A 91 -5.779 -0.488 6.741 1.00 25.33 C ATOM 1368 CE LYS A 91 -6.344 -1.071 8.028 1.00 4.03 C ATOM 1369 NZ LYS A 91 -5.474 -2.147 8.579 1.00 73.21 N ATOM 0 H LYS A 91 -3.853 -4.034 3.657 1.00 54.31 H new ATOM 0 HA LYS A 91 -5.657 -1.782 3.061 1.00 35.12 H new ATOM 0 HB2 LYS A 91 -5.348 -3.265 5.330 1.00 51.14 H new ATOM 0 HB3 LYS A 91 -4.171 -2.004 5.640 1.00 51.14 H new ATOM 0 HG2 LYS A 91 -6.464 -0.643 4.713 1.00 15.54 H new ATOM 0 HG3 LYS A 91 -7.079 -1.895 5.773 1.00 15.54 H new ATOM 0 HD2 LYS A 91 -4.691 -0.451 6.803 1.00 25.33 H new ATOM 0 HD3 LYS A 91 -6.127 0.538 6.621 1.00 25.33 H new ATOM 0 HE2 LYS A 91 -6.454 -0.278 8.768 1.00 4.03 H new ATOM 0 HE3 LYS A 91 -7.340 -1.471 7.839 1.00 4.03 H new ATOM 0 HZ1 LYS A 91 -5.894 -2.518 9.455 1.00 73.21 H new ATOM 0 HZ2 LYS A 91 -5.389 -2.915 7.883 1.00 73.21 H new ATOM 0 HZ3 LYS A 91 -4.531 -1.760 8.784 1.00 73.21 H new ATOM 1379 N VAL A 92 -3.848 -0.218 2.449 1.00 30.43 N ATOM 1380 CA VAL A 92 -2.832 0.777 2.129 1.00 75.33 C ATOM 1381 C VAL A 92 -3.144 2.113 2.795 1.00 13.30 C ATOM 1382 O VAL A 92 -4.148 2.753 2.487 1.00 42.42 O ATOM 1383 CB VAL A 92 -2.714 0.989 0.608 1.00 34.02 C ATOM 1384 CG1 VAL A 92 -4.077 1.288 0.003 1.00 75.10 C ATOM 1385 CG2 VAL A 92 -1.728 2.106 0.301 1.00 33.11 C ATOM 0 H VAL A 92 -4.722 -0.108 1.935 1.00 30.43 H new ATOM 0 HA VAL A 92 -1.884 0.397 2.510 1.00 75.33 H new ATOM 0 HB VAL A 92 -2.338 0.070 0.159 1.00 34.02 H new ATOM 0 HG11 VAL A 92 -3.974 1.435 -1.072 1.00 75.10 H new ATOM 0 HG12 VAL A 92 -4.750 0.452 0.192 1.00 75.10 H new ATOM 0 HG13 VAL A 92 -4.485 2.192 0.455 1.00 75.10 H new ATOM 0 HG21 VAL A 92 -1.657 2.242 -0.778 1.00 33.11 H new ATOM 0 HG22 VAL A 92 -2.072 3.032 0.762 1.00 33.11 H new ATOM 0 HG23 VAL A 92 -0.747 1.845 0.699 1.00 33.11 H new ATOM 1395 N ALA A 93 -2.274 2.530 3.709 1.00 21.14 N ATOM 1396 CA ALA A 93 -2.453 3.792 4.416 1.00 65.21 C ATOM 1397 C ALA A 93 -1.239 4.697 4.241 1.00 60.12 C ATOM 1398 O ALA A 93 -0.107 4.222 4.133 1.00 73.35 O ATOM 1399 CB ALA A 93 -2.715 3.536 5.893 1.00 51.24 C ATOM 0 H ALA A 93 -1.438 2.012 3.977 1.00 21.14 H new ATOM 0 HA ALA A 93 -3.316 4.301 3.988 1.00 65.21 H new ATOM 0 HB1 ALA A 93 -2.847 4.487 6.409 1.00 51.24 H new ATOM 0 HB2 ALA A 93 -3.618 2.935 6.004 1.00 51.24 H new ATOM 0 HB3 ALA A 93 -1.869 3.003 6.326 1.00 51.24 H new ATOM 1405 N HIS A 94 -1.480 6.004 4.213 1.00 61.45 N ATOM 1406 CA HIS A 94 -0.406 6.977 4.050 1.00 34.55 C ATOM 1407 C HIS A 94 -0.379 7.957 5.219 1.00 23.03 C ATOM 1408 O HIS A 94 -1.425 8.362 5.726 1.00 74.10 O ATOM 1409 CB HIS A 94 -0.573 7.738 2.735 1.00 1.33 C ATOM 1410 CG HIS A 94 -0.458 6.868 1.521 1.00 14.44 C ATOM 1411 ND1 HIS A 94 0.347 7.181 0.445 1.00 53.03 N ATOM 1412 CD2 HIS A 94 -1.049 5.690 1.217 1.00 2.21 C ATOM 1413 CE1 HIS A 94 0.244 6.233 -0.469 1.00 64.14 C ATOM 1414 NE2 HIS A 94 -0.597 5.315 -0.025 1.00 52.22 N ATOM 0 H HIS A 94 -2.410 6.414 4.301 1.00 61.45 H new ATOM 0 HA HIS A 94 0.540 6.436 4.030 1.00 34.55 H new ATOM 0 HB2 HIS A 94 -1.546 8.228 2.730 1.00 1.33 H new ATOM 0 HB3 HIS A 94 0.180 8.524 2.681 1.00 1.33 H new ATOM 0 HD1 HIS A 94 0.930 8.014 0.367 1.00 53.03 H new ATOM 0 HD2 HIS A 94 -1.747 5.145 1.836 1.00 2.21 H new ATOM 0 HE1 HIS A 94 0.759 6.212 -1.418 1.00 64.14 H new ATOM 1421 N SER A 95 0.824 8.333 5.642 1.00 73.32 N ATOM 1422 CA SER A 95 0.986 9.262 6.754 1.00 54.22 C ATOM 1423 C SER A 95 1.851 10.451 6.347 1.00 51.43 C ATOM 1424 O SER A 95 2.982 10.284 5.890 1.00 60.34 O ATOM 1425 CB SER A 95 1.613 8.549 7.954 1.00 15.04 C ATOM 1426 OG SER A 95 2.995 8.846 8.059 1.00 53.52 O ATOM 0 H SER A 95 1.700 8.009 5.232 1.00 73.32 H new ATOM 0 HA SER A 95 -0.001 9.631 7.034 1.00 54.22 H new ATOM 0 HB2 SER A 95 1.102 8.852 8.868 1.00 15.04 H new ATOM 0 HB3 SER A 95 1.476 7.472 7.854 1.00 15.04 H new ATOM 0 HG SER A 95 3.480 8.409 7.328 1.00 53.52 H new ATOM 1431 N ASP A 96 1.310 11.653 6.515 1.00 64.23 N ATOM 1432 CA ASP A 96 2.030 12.872 6.166 1.00 40.32 C ATOM 1433 C ASP A 96 2.771 13.430 7.376 1.00 51.41 C ATOM 1434 O ASP A 96 3.903 13.901 7.261 1.00 5.51 O ATOM 1435 CB ASP A 96 1.063 13.921 5.615 1.00 55.20 C ATOM 1436 CG ASP A 96 0.030 14.351 6.639 1.00 40.44 C ATOM 1437 OD1 ASP A 96 -1.019 13.680 6.741 1.00 72.12 O ATOM 1438 OD2 ASP A 96 0.271 15.357 7.339 1.00 2.55 O ATOM 0 H ASP A 96 0.375 11.809 6.891 1.00 64.23 H new ATOM 0 HA ASP A 96 2.762 12.625 5.397 1.00 40.32 H new ATOM 0 HB2 ASP A 96 1.627 14.793 5.284 1.00 55.20 H new ATOM 0 HB3 ASP A 96 0.556 13.518 4.738 1.00 55.20 H new ATOM 1442 N ASP A 97 2.126 13.376 8.536 1.00 54.44 N ATOM 1443 CA ASP A 97 2.724 13.877 9.767 1.00 72.52 C ATOM 1444 C ASP A 97 3.381 12.746 10.551 1.00 25.42 C ATOM 1445 O ASP A 97 4.119 12.985 11.506 1.00 72.23 O ATOM 1446 CB ASP A 97 1.665 14.564 10.632 1.00 41.45 C ATOM 1447 CG ASP A 97 2.160 15.867 11.227 1.00 74.12 C ATOM 1448 OD1 ASP A 97 2.397 16.819 10.455 1.00 54.01 O ATOM 1449 OD2 ASP A 97 2.310 15.934 12.465 1.00 31.20 O ATOM 0 H ASP A 97 1.189 12.990 8.649 1.00 54.44 H new ATOM 0 HA ASP A 97 3.491 14.604 9.499 1.00 72.52 H new ATOM 0 HB2 ASP A 97 0.777 14.757 10.030 1.00 41.45 H new ATOM 0 HB3 ASP A 97 1.365 13.892 11.436 1.00 41.45 H new ATOM 1453 N GLY A 98 3.107 11.511 10.140 1.00 22.12 N ATOM 1454 CA GLY A 98 3.679 10.360 10.816 1.00 30.03 C ATOM 1455 C GLY A 98 2.740 9.767 11.847 1.00 62.03 C ATOM 1456 O GLY A 98 2.813 8.577 12.153 1.00 13.03 O ATOM 0 H GLY A 98 2.500 11.287 9.352 1.00 22.12 H new ATOM 0 HA2 GLY A 98 3.932 9.598 10.079 1.00 30.03 H new ATOM 0 HA3 GLY A 98 4.609 10.654 11.303 1.00 30.03 H new ATOM 1460 N VAL A 99 1.854 10.599 12.387 1.00 61.00 N ATOM 1461 CA VAL A 99 0.897 10.151 13.390 1.00 71.03 C ATOM 1462 C VAL A 99 -0.472 9.896 12.768 1.00 30.32 C ATOM 1463 O VAL A 99 -1.197 8.996 13.191 1.00 42.14 O ATOM 1464 CB VAL A 99 0.749 11.181 14.525 1.00 54.35 C ATOM 1465 CG1 VAL A 99 2.076 11.382 15.241 1.00 63.21 C ATOM 1466 CG2 VAL A 99 0.223 12.501 13.981 1.00 73.42 C ATOM 0 H VAL A 99 1.780 11.587 12.146 1.00 61.00 H new ATOM 0 HA VAL A 99 1.285 9.220 13.803 1.00 71.03 H new ATOM 0 HB VAL A 99 0.028 10.798 15.247 1.00 54.35 H new ATOM 0 HG11 VAL A 99 1.951 12.113 16.040 1.00 63.21 H new ATOM 0 HG12 VAL A 99 2.408 10.434 15.665 1.00 63.21 H new ATOM 0 HG13 VAL A 99 2.821 11.743 14.532 1.00 63.21 H new ATOM 0 HG21 VAL A 99 0.124 13.217 14.797 1.00 73.42 H new ATOM 0 HG22 VAL A 99 0.918 12.891 13.238 1.00 73.42 H new ATOM 0 HG23 VAL A 99 -0.751 12.342 13.518 1.00 73.42 H new ATOM 1476 N GLN A 100 -0.817 10.694 11.764 1.00 44.05 N ATOM 1477 CA GLN A 100 -2.100 10.554 11.084 1.00 11.21 C ATOM 1478 C GLN A 100 -1.998 9.565 9.928 1.00 1.50 C ATOM 1479 O GLN A 100 -1.522 9.908 8.845 1.00 20.21 O ATOM 1480 CB GLN A 100 -2.578 11.913 10.568 1.00 41.11 C ATOM 1481 CG GLN A 100 -2.575 13.001 11.629 1.00 54.33 C ATOM 1482 CD GLN A 100 -3.407 14.205 11.232 1.00 52.50 C ATOM 1483 OE1 GLN A 100 -4.585 14.078 10.899 1.00 73.43 O ATOM 1484 NE2 GLN A 100 -2.795 15.383 11.265 1.00 53.15 N ATOM 0 H GLN A 100 -0.227 11.444 11.403 1.00 44.05 H new ATOM 0 HA GLN A 100 -2.824 10.171 11.803 1.00 11.21 H new ATOM 0 HB2 GLN A 100 -1.940 12.223 9.740 1.00 41.11 H new ATOM 0 HB3 GLN A 100 -3.587 11.807 10.171 1.00 41.11 H new ATOM 0 HG2 GLN A 100 -2.957 12.592 12.564 1.00 54.33 H new ATOM 0 HG3 GLN A 100 -1.549 13.319 11.816 1.00 54.33 H new ATOM 0 HE21 GLN A 100 -1.817 15.442 11.547 1.00 53.15 H new ATOM 0 HE22 GLN A 100 -3.303 16.229 11.008 1.00 53.15 H new ATOM 1491 N TRP A 101 -2.447 8.339 10.164 1.00 25.44 N ATOM 1492 CA TRP A 101 -2.406 7.299 9.142 1.00 43.42 C ATOM 1493 C TRP A 101 -3.720 7.244 8.369 1.00 1.12 C ATOM 1494 O TRP A 101 -4.732 6.764 8.879 1.00 44.43 O ATOM 1495 CB TRP A 101 -2.117 5.939 9.779 1.00 65.34 C ATOM 1496 CG TRP A 101 -1.053 5.990 10.832 1.00 13.24 C ATOM 1497 CD1 TRP A 101 0.065 6.776 10.830 1.00 21.11 C ATOM 1498 CD2 TRP A 101 -1.004 5.224 12.040 1.00 72.01 C ATOM 1499 NE1 TRP A 101 0.805 6.543 11.964 1.00 14.22 N ATOM 1500 CE2 TRP A 101 0.170 5.597 12.723 1.00 21.24 C ATOM 1501 CE3 TRP A 101 -1.839 4.261 12.612 1.00 22.21 C ATOM 1502 CZ2 TRP A 101 0.528 5.037 13.947 1.00 51.53 C ATOM 1503 CZ3 TRP A 101 -1.482 3.707 13.827 1.00 42.43 C ATOM 1504 CH2 TRP A 101 -0.307 4.096 14.484 1.00 72.23 C ATOM 0 H TRP A 101 -2.844 8.039 11.054 1.00 25.44 H new ATOM 0 HA TRP A 101 -1.605 7.542 8.444 1.00 43.42 H new ATOM 0 HB2 TRP A 101 -3.035 5.550 10.219 1.00 65.34 H new ATOM 0 HB3 TRP A 101 -1.814 5.238 9.001 1.00 65.34 H new ATOM 0 HD1 TRP A 101 0.328 7.477 10.052 1.00 21.11 H new ATOM 0 HE1 TRP A 101 1.685 7.001 12.202 1.00 14.22 H new ATOM 0 HE3 TRP A 101 -2.747 3.955 12.114 1.00 22.21 H new ATOM 0 HZ2 TRP A 101 1.433 5.335 14.454 1.00 51.53 H new ATOM 0 HZ3 TRP A 101 -2.120 2.961 14.278 1.00 42.43 H new ATOM 0 HH2 TRP A 101 -0.056 3.644 15.432 1.00 72.23 H new ATOM 1514 N THR A 102 -3.696 7.738 7.134 1.00 62.54 N ATOM 1515 CA THR A 102 -4.886 7.745 6.292 1.00 73.32 C ATOM 1516 C THR A 102 -5.033 6.429 5.537 1.00 13.24 C ATOM 1517 O THR A 102 -4.418 6.230 4.490 1.00 52.43 O ATOM 1518 CB THR A 102 -4.849 8.904 5.278 1.00 53.02 C ATOM 1519 OG1 THR A 102 -4.711 10.152 5.966 1.00 14.11 O ATOM 1520 CG2 THR A 102 -6.112 8.922 4.431 1.00 75.41 C ATOM 0 H THR A 102 -2.866 8.138 6.696 1.00 62.54 H new ATOM 0 HA THR A 102 -5.741 7.878 6.954 1.00 73.32 H new ATOM 0 HB THR A 102 -3.992 8.756 4.620 1.00 53.02 H new ATOM 0 HG1 THR A 102 -4.687 10.884 5.315 1.00 14.11 H new ATOM 0 HG21 THR A 102 -6.063 9.749 3.722 1.00 75.41 H new ATOM 0 HG22 THR A 102 -6.198 7.982 3.886 1.00 75.41 H new ATOM 0 HG23 THR A 102 -6.981 9.048 5.076 1.00 75.41 H new ATOM 1528 N VAL A 103 -5.853 5.531 6.075 1.00 33.13 N ATOM 1529 CA VAL A 103 -6.082 4.234 5.451 1.00 52.54 C ATOM 1530 C VAL A 103 -7.128 4.333 4.347 1.00 41.41 C ATOM 1531 O VAL A 103 -7.375 3.368 3.622 1.00 33.22 O ATOM 1532 CB VAL A 103 -6.540 3.187 6.484 1.00 13.41 C ATOM 1533 CG1 VAL A 103 -5.416 2.873 7.459 1.00 21.34 C ATOM 1534 CG2 VAL A 103 -7.777 3.674 7.223 1.00 13.12 C ATOM 0 H VAL A 103 -6.370 5.679 6.942 1.00 33.13 H new ATOM 0 HA VAL A 103 -5.132 3.918 5.021 1.00 52.54 H new ATOM 0 HB VAL A 103 -6.798 2.269 5.956 1.00 13.41 H new ATOM 0 HG11 VAL A 103 -5.757 2.132 8.181 1.00 21.34 H new ATOM 0 HG12 VAL A 103 -4.559 2.479 6.912 1.00 21.34 H new ATOM 0 HG13 VAL A 103 -5.124 3.783 7.983 1.00 21.34 H new ATOM 0 HG21 VAL A 103 -8.087 2.922 7.949 1.00 13.12 H new ATOM 0 HG22 VAL A 103 -7.548 4.606 7.741 1.00 13.12 H new ATOM 0 HG23 VAL A 103 -8.584 3.844 6.510 1.00 13.12 H new ATOM 1544 N TYR A 104 -7.739 5.506 4.222 1.00 24.01 N ATOM 1545 CA TYR A 104 -8.760 5.731 3.206 1.00 71.42 C ATOM 1546 C TYR A 104 -9.924 4.759 3.378 1.00 73.31 C ATOM 1547 O TYR A 104 -10.193 3.935 2.505 1.00 52.31 O ATOM 1548 CB TYR A 104 -8.161 5.582 1.807 1.00 1.24 C ATOM 1549 CG TYR A 104 -7.123 6.631 1.478 1.00 51.04 C ATOM 1550 CD1 TYR A 104 -7.426 7.985 1.558 1.00 71.21 C ATOM 1551 CD2 TYR A 104 -5.839 6.270 1.088 1.00 65.51 C ATOM 1552 CE1 TYR A 104 -6.482 8.947 1.257 1.00 32.22 C ATOM 1553 CE2 TYR A 104 -4.889 7.224 0.787 1.00 55.31 C ATOM 1554 CZ TYR A 104 -5.214 8.562 0.873 1.00 60.23 C ATOM 1555 OH TYR A 104 -4.270 9.518 0.573 1.00 34.41 O ATOM 0 H TYR A 104 -7.545 6.315 4.812 1.00 24.01 H new ATOM 0 HA TYR A 104 -9.137 6.747 3.326 1.00 71.42 H new ATOM 0 HB2 TYR A 104 -7.708 4.594 1.718 1.00 1.24 H new ATOM 0 HB3 TYR A 104 -8.963 5.633 1.070 1.00 1.24 H new ATOM 0 HD1 TYR A 104 -8.417 8.290 1.861 1.00 71.21 H new ATOM 0 HD2 TYR A 104 -5.580 5.224 1.019 1.00 65.51 H new ATOM 0 HE1 TYR A 104 -6.735 9.995 1.322 1.00 32.22 H new ATOM 0 HE2 TYR A 104 -3.896 6.925 0.486 1.00 55.31 H new ATOM 0 HH TYR A 104 -3.430 9.081 0.322 1.00 34.41 H new ATOM 1632 N LYS A 111 -11.568 -0.438 5.972 1.00 0.04 N ATOM 1633 CA LYS A 111 -11.576 -1.767 5.374 1.00 25.32 C ATOM 1634 C LYS A 111 -10.498 -1.889 4.301 1.00 31.14 C ATOM 1635 O LYS A 111 -10.169 -0.914 3.626 1.00 13.32 O ATOM 1636 CB LYS A 111 -12.949 -2.069 4.768 1.00 72.30 C ATOM 1637 CG LYS A 111 -13.410 -3.499 4.989 1.00 61.25 C ATOM 1638 CD LYS A 111 -13.160 -4.360 3.762 1.00 22.02 C ATOM 1639 CE LYS A 111 -14.451 -4.962 3.230 1.00 71.11 C ATOM 1640 NZ LYS A 111 -14.205 -6.211 2.457 1.00 30.52 N ATOM 0 HA LYS A 111 -11.365 -2.492 6.160 1.00 25.32 H new ATOM 0 HB2 LYS A 111 -13.684 -1.389 5.198 1.00 72.30 H new ATOM 0 HB3 LYS A 111 -12.916 -1.868 3.697 1.00 72.30 H new ATOM 0 HG2 LYS A 111 -12.886 -3.923 5.845 1.00 61.25 H new ATOM 0 HG3 LYS A 111 -14.473 -3.507 5.230 1.00 61.25 H new ATOM 0 HD2 LYS A 111 -12.690 -3.758 2.984 1.00 22.02 H new ATOM 0 HD3 LYS A 111 -12.462 -5.158 4.013 1.00 22.02 H new ATOM 0 HE2 LYS A 111 -15.121 -5.176 4.062 1.00 71.11 H new ATOM 0 HE3 LYS A 111 -14.955 -4.235 2.594 1.00 71.11 H new ATOM 0 HZ1 LYS A 111 -15.110 -6.590 2.112 1.00 30.52 H new ATOM 0 HZ2 LYS A 111 -13.586 -6.002 1.648 1.00 30.52 H new ATOM 0 HZ3 LYS A 111 -13.747 -6.915 3.071 1.00 30.52 H new ATOM 1650 N VAL A 112 -9.953 -3.091 4.149 1.00 25.35 N ATOM 1651 CA VAL A 112 -8.914 -3.341 3.158 1.00 44.24 C ATOM 1652 C VAL A 112 -9.480 -3.284 1.743 1.00 55.35 C ATOM 1653 O VAL A 112 -10.684 -3.106 1.551 1.00 34.12 O ATOM 1654 CB VAL A 112 -8.246 -4.711 3.376 1.00 61.03 C ATOM 1655 CG1 VAL A 112 -7.410 -4.701 4.647 1.00 51.44 C ATOM 1656 CG2 VAL A 112 -9.294 -5.813 3.426 1.00 33.01 C ATOM 0 H VAL A 112 -10.214 -3.908 4.701 1.00 25.35 H new ATOM 0 HA VAL A 112 -8.166 -2.558 3.280 1.00 44.24 H new ATOM 0 HB VAL A 112 -7.582 -4.910 2.535 1.00 61.03 H new ATOM 0 HG11 VAL A 112 -6.946 -5.677 4.785 1.00 51.44 H new ATOM 0 HG12 VAL A 112 -6.635 -3.939 4.567 1.00 51.44 H new ATOM 0 HG13 VAL A 112 -8.050 -4.480 5.501 1.00 51.44 H new ATOM 0 HG21 VAL A 112 -8.804 -6.774 3.581 1.00 33.01 H new ATOM 0 HG22 VAL A 112 -9.985 -5.621 4.247 1.00 33.01 H new ATOM 0 HG23 VAL A 112 -9.845 -5.834 2.486 1.00 33.01 H new ATOM 1666 N PHE A 113 -8.605 -3.436 0.755 1.00 41.32 N ATOM 1667 CA PHE A 113 -9.018 -3.401 -0.643 1.00 5.53 C ATOM 1668 C PHE A 113 -8.435 -4.584 -1.412 1.00 63.30 C ATOM 1669 O PHE A 113 -7.231 -4.834 -1.366 1.00 24.31 O ATOM 1670 CB PHE A 113 -8.577 -2.089 -1.296 1.00 35.25 C ATOM 1671 CG PHE A 113 -9.549 -0.962 -1.092 1.00 71.03 C ATOM 1672 CD1 PHE A 113 -9.472 -0.157 0.032 1.00 12.41 C ATOM 1673 CD2 PHE A 113 -10.542 -0.710 -2.025 1.00 52.22 C ATOM 1674 CE1 PHE A 113 -10.364 0.882 0.222 1.00 63.44 C ATOM 1675 CE2 PHE A 113 -11.438 0.327 -1.841 1.00 11.42 C ATOM 1676 CZ PHE A 113 -11.349 1.122 -0.715 1.00 42.30 C ATOM 0 H PHE A 113 -7.606 -3.585 0.896 1.00 41.32 H new ATOM 0 HA PHE A 113 -10.105 -3.468 -0.675 1.00 5.53 H new ATOM 0 HB2 PHE A 113 -7.607 -1.799 -0.892 1.00 35.25 H new ATOM 0 HB3 PHE A 113 -8.441 -2.252 -2.365 1.00 35.25 H new ATOM 0 HD1 PHE A 113 -8.705 -0.343 0.770 1.00 12.41 H new ATOM 0 HD2 PHE A 113 -10.617 -1.330 -2.906 1.00 52.22 H new ATOM 0 HE1 PHE A 113 -10.290 1.505 1.101 1.00 63.44 H new ATOM 0 HE2 PHE A 113 -12.206 0.515 -2.577 1.00 11.42 H new ATOM 0 HZ PHE A 113 -12.049 1.931 -0.568 1.00 42.30 H new ATOM 1685 N GLN A 114 -9.299 -5.307 -2.116 1.00 65.33 N ATOM 1686 CA GLN A 114 -8.872 -6.465 -2.893 1.00 13.33 C ATOM 1687 C GLN A 114 -8.304 -6.035 -4.242 1.00 72.24 C ATOM 1688 O GLN A 114 -8.793 -5.090 -4.860 1.00 4.11 O ATOM 1689 CB GLN A 114 -10.042 -7.427 -3.102 1.00 61.04 C ATOM 1690 CG GLN A 114 -11.278 -6.764 -3.688 1.00 52.30 C ATOM 1691 CD GLN A 114 -12.523 -7.014 -2.861 1.00 62.31 C ATOM 1692 OE1 GLN A 114 -13.303 -6.099 -2.598 1.00 14.51 O ATOM 1693 NE2 GLN A 114 -12.716 -8.261 -2.445 1.00 75.02 N ATOM 0 H GLN A 114 -10.299 -5.112 -2.165 1.00 65.33 H new ATOM 0 HA GLN A 114 -8.088 -6.976 -2.335 1.00 13.33 H new ATOM 0 HB2 GLN A 114 -9.725 -8.234 -3.763 1.00 61.04 H new ATOM 0 HB3 GLN A 114 -10.303 -7.882 -2.146 1.00 61.04 H new ATOM 0 HG2 GLN A 114 -11.107 -5.690 -3.765 1.00 52.30 H new ATOM 0 HG3 GLN A 114 -11.439 -7.135 -4.700 1.00 52.30 H new ATOM 0 HE21 GLN A 114 -12.044 -8.989 -2.686 1.00 75.02 H new ATOM 0 HE22 GLN A 114 -13.537 -8.490 -1.884 1.00 75.02 H new ATOM 1700 N GLY A 115 -7.268 -6.737 -4.694 1.00 74.00 N ATOM 1701 CA GLY A 115 -6.652 -6.412 -5.967 1.00 21.11 C ATOM 1702 C GLY A 115 -6.342 -7.645 -6.792 1.00 3.34 C ATOM 1703 O GLY A 115 -7.022 -7.928 -7.777 1.00 52.32 O ATOM 0 H GLY A 115 -6.845 -7.524 -4.201 1.00 74.00 H new ATOM 0 HA2 GLY A 115 -7.316 -5.758 -6.532 1.00 21.11 H new ATOM 0 HA3 GLY A 115 -5.731 -5.856 -5.790 1.00 21.11 H new ATOM 1707 N ASN A 116 -5.310 -8.380 -6.390 1.00 20.42 N ATOM 1708 CA ASN A 116 -4.910 -9.589 -7.101 1.00 63.42 C ATOM 1709 C ASN A 116 -4.997 -9.386 -8.611 1.00 31.33 C ATOM 1710 O ASN A 116 -6.002 -9.724 -9.236 1.00 43.15 O ATOM 1711 CB ASN A 116 -5.792 -10.767 -6.682 1.00 3.23 C ATOM 1712 CG ASN A 116 -7.265 -10.407 -6.655 1.00 35.03 C ATOM 1713 OD1 ASN A 116 -7.744 -9.781 -5.709 1.00 41.53 O ATOM 1714 ND2 ASN A 116 -7.989 -10.802 -7.694 1.00 43.14 N ATOM 0 H ASN A 116 -4.736 -8.160 -5.576 1.00 20.42 H new ATOM 0 HA ASN A 116 -3.874 -9.808 -6.841 1.00 63.42 H new ATOM 0 HB2 ASN A 116 -5.636 -11.597 -7.371 1.00 3.23 H new ATOM 0 HB3 ASN A 116 -5.487 -11.112 -5.694 1.00 3.23 H new ATOM 0 HD21 ASN A 116 -8.986 -10.589 -7.731 1.00 43.14 H new ATOM 0 HD22 ASN A 116 -7.549 -11.319 -8.455 1.00 43.14 H new ATOM 1720 N LEU A 117 -3.937 -8.833 -9.189 1.00 10.30 N ATOM 1721 CA LEU A 117 -3.892 -8.585 -10.626 1.00 21.22 C ATOM 1722 C LEU A 117 -2.860 -9.482 -11.302 1.00 32.14 C ATOM 1723 O LEU A 117 -2.328 -9.146 -12.360 1.00 22.45 O ATOM 1724 CB LEU A 117 -3.565 -7.116 -10.900 1.00 12.53 C ATOM 1725 CG LEU A 117 -4.303 -6.092 -10.037 1.00 0.14 C ATOM 1726 CD1 LEU A 117 -3.337 -5.042 -9.511 1.00 1.54 C ATOM 1727 CD2 LEU A 117 -5.425 -5.438 -10.829 1.00 71.15 C ATOM 0 H LEU A 117 -3.097 -8.548 -8.685 1.00 10.30 H new ATOM 0 HA LEU A 117 -4.873 -8.816 -11.040 1.00 21.22 H new ATOM 0 HB2 LEU A 117 -2.493 -6.971 -10.763 1.00 12.53 H new ATOM 0 HB3 LEU A 117 -3.784 -6.905 -11.947 1.00 12.53 H new ATOM 0 HG LEU A 117 -4.741 -6.612 -9.185 1.00 0.14 H new ATOM 0 HD11 LEU A 117 -3.880 -4.322 -8.899 1.00 1.54 H new ATOM 0 HD12 LEU A 117 -2.568 -5.525 -8.907 1.00 1.54 H new ATOM 0 HD13 LEU A 117 -2.869 -4.526 -10.349 1.00 1.54 H new ATOM 0 HD21 LEU A 117 -5.940 -4.712 -10.199 1.00 71.15 H new ATOM 0 HD22 LEU A 117 -5.009 -4.932 -11.700 1.00 71.15 H new ATOM 0 HD23 LEU A 117 -6.132 -6.200 -11.156 1.00 71.15 H new ATOM 1738 N ASP A 118 -2.583 -10.626 -10.684 1.00 33.22 N ATOM 1739 CA ASP A 118 -1.617 -11.574 -11.227 1.00 54.02 C ATOM 1740 C ASP A 118 -0.217 -10.970 -11.248 1.00 14.44 C ATOM 1741 O ASP A 118 0.013 -9.890 -10.703 1.00 2.43 O ATOM 1742 CB ASP A 118 -2.024 -11.997 -12.639 1.00 0.12 C ATOM 1743 CG ASP A 118 -1.893 -13.492 -12.855 1.00 62.25 C ATOM 1744 OD1 ASP A 118 -2.759 -14.241 -12.357 1.00 61.03 O ATOM 1745 OD2 ASP A 118 -0.924 -13.913 -13.521 1.00 21.32 O ATOM 0 H ASP A 118 -3.014 -10.919 -9.807 1.00 33.22 H new ATOM 0 HA ASP A 118 -1.605 -12.453 -10.582 1.00 54.02 H new ATOM 0 HB2 ASP A 118 -3.055 -11.695 -12.823 1.00 0.12 H new ATOM 0 HB3 ASP A 118 -1.404 -11.472 -13.366 1.00 0.12 H new ATOM 1749 N ASN A 119 0.717 -11.674 -11.879 1.00 11.11 N ATOM 1750 CA ASN A 119 2.097 -11.208 -11.969 1.00 24.31 C ATOM 1751 C ASN A 119 2.379 -10.606 -13.342 1.00 72.24 C ATOM 1752 O ASN A 119 3.209 -9.709 -13.478 1.00 44.42 O ATOM 1753 CB ASN A 119 3.065 -12.361 -11.698 1.00 13.14 C ATOM 1754 CG ASN A 119 3.396 -13.147 -12.952 1.00 51.44 C ATOM 1755 OD1 ASN A 119 4.510 -13.071 -13.470 1.00 40.25 O ATOM 1756 ND2 ASN A 119 2.425 -13.907 -13.447 1.00 71.12 N ATOM 0 H ASN A 119 0.544 -12.569 -12.336 1.00 11.11 H new ATOM 0 HA ASN A 119 2.243 -10.434 -11.215 1.00 24.31 H new ATOM 0 HB2 ASN A 119 3.985 -11.965 -11.267 1.00 13.14 H new ATOM 0 HB3 ASN A 119 2.629 -13.031 -10.957 1.00 13.14 H new ATOM 0 HD21 ASN A 119 2.588 -14.458 -14.290 1.00 71.12 H new ATOM 0 HD22 ASN A 119 1.517 -13.939 -12.984 1.00 71.12 H new ATOM 1762 N ASN A 120 1.679 -11.105 -14.356 1.00 43.32 N ATOM 1763 CA ASN A 120 1.854 -10.616 -15.720 1.00 21.41 C ATOM 1764 C ASN A 120 0.773 -9.600 -16.075 1.00 53.14 C ATOM 1765 O ASN A 120 0.418 -9.439 -17.243 1.00 12.25 O ATOM 1766 CB ASN A 120 1.820 -11.782 -16.710 1.00 31.41 C ATOM 1767 CG ASN A 120 3.055 -11.830 -17.589 1.00 74.43 C ATOM 1768 OD1 ASN A 120 2.963 -11.733 -18.812 1.00 53.25 O ATOM 1769 ND2 ASN A 120 4.217 -11.983 -16.967 1.00 13.42 N ATOM 0 H ASN A 120 0.986 -11.847 -14.260 1.00 43.32 H new ATOM 0 HA ASN A 120 2.825 -10.124 -15.782 1.00 21.41 H new ATOM 0 HB2 ASN A 120 1.732 -12.719 -16.161 1.00 31.41 H new ATOM 0 HB3 ASN A 120 0.933 -11.696 -17.338 1.00 31.41 H new ATOM 0 HD21 ASN A 120 5.082 -12.024 -17.506 1.00 13.42 H new ATOM 0 HD22 ASN A 120 4.245 -12.059 -15.950 1.00 13.42 H new ATOM 1775 N SER A 121 0.254 -8.916 -15.060 1.00 12.22 N ATOM 1776 CA SER A 121 -0.788 -7.917 -15.265 1.00 24.23 C ATOM 1777 C SER A 121 -0.688 -6.805 -14.225 1.00 2.23 C ATOM 1778 O SER A 121 -1.220 -6.923 -13.120 1.00 0.44 O ATOM 1779 CB SER A 121 -2.170 -8.571 -15.197 1.00 53.52 C ATOM 1780 OG SER A 121 -2.765 -8.639 -16.481 1.00 43.40 O ATOM 0 H SER A 121 0.538 -9.036 -14.088 1.00 12.22 H new ATOM 0 HA SER A 121 -0.648 -7.479 -16.253 1.00 24.23 H new ATOM 0 HB2 SER A 121 -2.081 -9.574 -14.780 1.00 53.52 H new ATOM 0 HB3 SER A 121 -2.812 -8.002 -14.525 1.00 53.52 H new ATOM 0 HG SER A 121 -3.646 -9.062 -16.411 1.00 43.40 H new ATOM 1785 N HIS A 122 -0.001 -5.726 -14.586 1.00 2.03 N ATOM 1786 CA HIS A 122 0.171 -4.591 -13.685 1.00 25.34 C ATOM 1787 C HIS A 122 -1.059 -3.690 -13.708 1.00 72.13 C ATOM 1788 O HIS A 122 -1.793 -3.647 -14.696 1.00 50.25 O ATOM 1789 CB HIS A 122 1.414 -3.790 -14.071 1.00 43.44 C ATOM 1790 CG HIS A 122 1.242 -2.987 -15.325 1.00 54.05 C ATOM 1791 ND1 HIS A 122 0.390 -3.356 -16.345 1.00 34.14 N ATOM 1792 CD2 HIS A 122 1.818 -1.827 -15.718 1.00 44.13 C ATOM 1793 CE1 HIS A 122 0.451 -2.458 -17.312 1.00 52.12 C ATOM 1794 NE2 HIS A 122 1.310 -1.520 -16.956 1.00 52.41 N ATOM 0 H HIS A 122 0.446 -5.613 -15.496 1.00 2.03 H new ATOM 0 HA HIS A 122 0.298 -4.976 -12.673 1.00 25.34 H new ATOM 0 HB2 HIS A 122 1.673 -3.119 -13.252 1.00 43.44 H new ATOM 0 HB3 HIS A 122 2.252 -4.475 -14.199 1.00 43.44 H new ATOM 0 HD2 HIS A 122 2.542 -1.250 -15.162 1.00 44.13 H new ATOM 0 HE1 HIS A 122 -0.107 -2.486 -18.236 1.00 52.12 H new ATOM 0 HE2 HIS A 122 1.556 -0.700 -17.511 1.00 52.41 H new ATOM 1801 N LYS A 123 -1.279 -2.970 -12.613 1.00 72.33 N ATOM 1802 CA LYS A 123 -2.421 -2.068 -12.506 1.00 3.34 C ATOM 1803 C LYS A 123 -2.005 -0.738 -11.885 1.00 43.41 C ATOM 1804 O LYS A 123 -1.696 -0.665 -10.696 1.00 40.12 O ATOM 1805 CB LYS A 123 -3.528 -2.711 -11.668 1.00 53.45 C ATOM 1806 CG LYS A 123 -4.871 -2.013 -11.800 1.00 21.53 C ATOM 1807 CD LYS A 123 -5.518 -2.298 -13.145 1.00 73.13 C ATOM 1808 CE LYS A 123 -7.017 -2.041 -13.108 1.00 22.52 C ATOM 1809 NZ LYS A 123 -7.376 -0.752 -13.762 1.00 62.12 N ATOM 0 H LYS A 123 -0.682 -2.993 -11.787 1.00 72.33 H new ATOM 0 HA LYS A 123 -2.799 -1.878 -13.511 1.00 3.34 H new ATOM 0 HB2 LYS A 123 -3.639 -3.754 -11.965 1.00 53.45 H new ATOM 0 HB3 LYS A 123 -3.228 -2.708 -10.620 1.00 53.45 H new ATOM 0 HG2 LYS A 123 -5.533 -2.342 -11.000 1.00 21.53 H new ATOM 0 HG3 LYS A 123 -4.737 -0.938 -11.680 1.00 21.53 H new ATOM 0 HD2 LYS A 123 -5.059 -1.672 -13.911 1.00 73.13 H new ATOM 0 HD3 LYS A 123 -5.332 -3.334 -13.427 1.00 73.13 H new ATOM 0 HE2 LYS A 123 -7.538 -2.858 -13.607 1.00 22.52 H new ATOM 0 HE3 LYS A 123 -7.358 -2.030 -12.073 1.00 22.52 H new ATOM 0 HZ1 LYS A 123 -8.406 -0.614 -13.716 1.00 62.12 H new ATOM 0 HZ2 LYS A 123 -6.899 0.031 -13.271 1.00 62.12 H new ATOM 0 HZ3 LYS A 123 -7.074 -0.772 -14.757 1.00 62.12 H new ATOM 1819 N LYS A 124 -2.002 0.314 -12.698 1.00 64.02 N ATOM 1820 CA LYS A 124 -1.628 1.643 -12.230 1.00 33.32 C ATOM 1821 C LYS A 124 -2.843 2.563 -12.179 1.00 11.41 C ATOM 1822 O LYS A 124 -3.648 2.597 -13.110 1.00 24.54 O ATOM 1823 CB LYS A 124 -0.556 2.245 -13.141 1.00 62.31 C ATOM 1824 CG LYS A 124 -1.096 2.737 -14.472 1.00 51.43 C ATOM 1825 CD LYS A 124 0.009 3.307 -15.346 1.00 22.45 C ATOM 1826 CE LYS A 124 0.409 4.704 -14.899 1.00 72.10 C ATOM 1827 NZ LYS A 124 1.582 5.216 -15.662 1.00 34.41 N ATOM 0 H LYS A 124 -2.255 0.271 -13.685 1.00 64.02 H new ATOM 0 HA LYS A 124 -1.225 1.546 -11.222 1.00 33.32 H new ATOM 0 HB2 LYS A 124 -0.076 3.076 -12.624 1.00 62.31 H new ATOM 0 HB3 LYS A 124 0.215 1.496 -13.325 1.00 62.31 H new ATOM 0 HG2 LYS A 124 -1.586 1.915 -14.993 1.00 51.43 H new ATOM 0 HG3 LYS A 124 -1.854 3.501 -14.298 1.00 51.43 H new ATOM 0 HD2 LYS A 124 0.878 2.650 -15.310 1.00 22.45 H new ATOM 0 HD3 LYS A 124 -0.325 3.338 -16.383 1.00 22.45 H new ATOM 0 HE2 LYS A 124 -0.434 5.383 -15.030 1.00 72.10 H new ATOM 0 HE3 LYS A 124 0.645 4.691 -13.835 1.00 72.10 H new ATOM 0 HZ1 LYS A 124 1.824 6.171 -15.328 1.00 34.41 H new ATOM 0 HZ2 LYS A 124 2.394 4.583 -15.517 1.00 34.41 H new ATOM 0 HZ3 LYS A 124 1.348 5.253 -16.675 1.00 34.41 H new ATOM 1837 N ASN A 125 -2.968 3.311 -11.088 1.00 73.31 N ATOM 1838 CA ASN A 125 -4.085 4.234 -10.917 1.00 25.23 C ATOM 1839 C ASN A 125 -3.614 5.682 -11.014 1.00 74.30 C ATOM 1840 O ASN A 125 -2.517 6.019 -10.569 1.00 51.22 O ATOM 1841 CB ASN A 125 -4.768 3.997 -9.569 1.00 3.21 C ATOM 1842 CG ASN A 125 -4.654 2.556 -9.108 1.00 54.20 C ATOM 1843 OD1 ASN A 125 -3.582 2.104 -8.708 1.00 55.43 O ATOM 1844 ND2 ASN A 125 -5.763 1.828 -9.164 1.00 30.21 N ATOM 0 H ASN A 125 -2.310 3.296 -10.309 1.00 73.31 H new ATOM 0 HA ASN A 125 -4.802 4.050 -11.717 1.00 25.23 H new ATOM 0 HB2 ASN A 125 -4.323 4.652 -8.819 1.00 3.21 H new ATOM 0 HB3 ASN A 125 -5.821 4.269 -9.645 1.00 3.21 H new ATOM 0 HD21 ASN A 125 -5.748 0.852 -8.868 1.00 30.21 H new ATOM 0 HD22 ASN A 125 -6.630 2.245 -9.503 1.00 30.21 H new ATOM 1850 N ILE A 126 -4.452 6.532 -11.597 1.00 54.42 N ATOM 1851 CA ILE A 126 -4.121 7.944 -11.750 1.00 60.14 C ATOM 1852 C ILE A 126 -4.252 8.687 -10.424 1.00 25.53 C ATOM 1853 O ILE A 126 -4.376 8.070 -9.366 1.00 60.41 O ATOM 1854 CB ILE A 126 -5.025 8.623 -12.796 1.00 72.41 C ATOM 1855 CG1 ILE A 126 -5.551 7.591 -13.795 1.00 44.21 C ATOM 1856 CG2 ILE A 126 -4.264 9.726 -13.517 1.00 35.31 C ATOM 1857 CD1 ILE A 126 -6.954 7.115 -13.491 1.00 54.05 C ATOM 0 H ILE A 126 -5.364 6.269 -11.971 1.00 54.42 H new ATOM 0 HA ILE A 126 -3.086 7.990 -12.089 1.00 60.14 H new ATOM 0 HB ILE A 126 -5.876 9.071 -12.283 1.00 72.41 H new ATOM 0 HG12 ILE A 126 -5.532 8.023 -14.795 1.00 44.21 H new ATOM 0 HG13 ILE A 126 -4.879 6.733 -13.806 1.00 44.21 H new ATOM 0 HG21 ILE A 126 -4.916 10.197 -14.253 1.00 35.31 H new ATOM 0 HG22 ILE A 126 -3.934 10.473 -12.795 1.00 35.31 H new ATOM 0 HG23 ILE A 126 -3.396 9.300 -14.021 1.00 35.31 H new ATOM 0 HD11 ILE A 126 -7.261 6.385 -14.240 1.00 54.05 H new ATOM 0 HD12 ILE A 126 -6.976 6.653 -12.504 1.00 54.05 H new ATOM 0 HD13 ILE A 126 -7.638 7.963 -13.509 1.00 54.05 H new ATOM 1868 N PHE A 127 -4.224 10.013 -10.490 1.00 30.54 N ATOM 1869 CA PHE A 127 -4.339 10.840 -9.294 1.00 61.41 C ATOM 1870 C PHE A 127 -5.782 10.883 -8.800 1.00 20.13 C ATOM 1871 O PHE A 127 -6.378 11.953 -8.683 1.00 35.34 O ATOM 1872 CB PHE A 127 -3.845 12.259 -9.580 1.00 11.50 C ATOM 1873 CG PHE A 127 -4.310 12.801 -10.901 1.00 52.44 C ATOM 1874 CD1 PHE A 127 -5.534 13.442 -11.009 1.00 54.45 C ATOM 1875 CD2 PHE A 127 -3.525 12.670 -12.035 1.00 32.34 C ATOM 1876 CE1 PHE A 127 -5.966 13.943 -12.223 1.00 24.32 C ATOM 1877 CE2 PHE A 127 -3.951 13.169 -13.251 1.00 60.11 C ATOM 1878 CZ PHE A 127 -5.173 13.805 -13.346 1.00 63.33 C ATOM 0 H PHE A 127 -4.123 10.539 -11.358 1.00 30.54 H new ATOM 0 HA PHE A 127 -3.719 10.397 -8.515 1.00 61.41 H new ATOM 0 HB2 PHE A 127 -4.186 12.921 -8.784 1.00 11.50 H new ATOM 0 HB3 PHE A 127 -2.755 12.267 -9.556 1.00 11.50 H new ATOM 0 HD1 PHE A 127 -6.158 13.551 -10.134 1.00 54.45 H new ATOM 0 HD2 PHE A 127 -2.569 12.172 -11.968 1.00 32.34 H new ATOM 0 HE1 PHE A 127 -6.922 14.441 -12.293 1.00 24.32 H new ATOM 0 HE2 PHE A 127 -3.328 13.062 -14.127 1.00 60.11 H new ATOM 0 HZ PHE A 127 -5.508 14.194 -14.296 1.00 63.33 H new ATOM 1887 N GLU A 128 -6.337 9.709 -8.512 1.00 43.43 N ATOM 1888 CA GLU A 128 -7.711 9.612 -8.033 1.00 75.50 C ATOM 1889 C GLU A 128 -7.873 10.333 -6.697 1.00 13.23 C ATOM 1890 O GLU A 128 -8.980 10.705 -6.309 1.00 61.41 O ATOM 1891 CB GLU A 128 -8.121 8.145 -7.885 1.00 43.51 C ATOM 1892 CG GLU A 128 -9.480 7.830 -8.487 1.00 42.24 C ATOM 1893 CD GLU A 128 -9.921 6.404 -8.219 1.00 1.33 C ATOM 1894 OE1 GLU A 128 -9.147 5.654 -7.588 1.00 33.12 O ATOM 1895 OE2 GLU A 128 -11.037 6.037 -8.641 1.00 52.52 O ATOM 0 H GLU A 128 -5.857 8.814 -8.602 1.00 43.43 H new ATOM 0 HA GLU A 128 -8.359 10.091 -8.767 1.00 75.50 H new ATOM 0 HB2 GLU A 128 -7.368 7.516 -8.360 1.00 43.51 H new ATOM 0 HB3 GLU A 128 -8.132 7.885 -6.827 1.00 43.51 H new ATOM 0 HG2 GLU A 128 -10.221 8.518 -8.081 1.00 42.24 H new ATOM 0 HG3 GLU A 128 -9.444 7.999 -9.563 1.00 42.24 H new ATOM 1900 N LYS A 129 -6.760 10.526 -5.997 1.00 0.45 N ATOM 1901 CA LYS A 129 -6.775 11.202 -4.706 1.00 34.13 C ATOM 1902 C LYS A 129 -5.356 11.478 -4.218 1.00 30.32 C ATOM 1903 O LYS A 129 -4.844 10.813 -3.318 1.00 32.14 O ATOM 1904 CB LYS A 129 -7.525 10.358 -3.673 1.00 65.20 C ATOM 1905 CG LYS A 129 -8.956 10.809 -3.442 1.00 71.31 C ATOM 1906 CD LYS A 129 -9.181 11.235 -2.000 1.00 1.41 C ATOM 1907 CE LYS A 129 -10.349 12.202 -1.879 1.00 3.14 C ATOM 1908 NZ LYS A 129 -9.890 13.607 -1.698 1.00 30.53 N ATOM 0 H LYS A 129 -5.835 10.223 -6.303 1.00 0.45 H new ATOM 0 HA LYS A 129 -7.289 12.155 -4.830 1.00 34.13 H new ATOM 0 HB2 LYS A 129 -7.529 9.318 -4.000 1.00 65.20 H new ATOM 0 HB3 LYS A 129 -6.985 10.393 -2.727 1.00 65.20 H new ATOM 0 HG2 LYS A 129 -9.189 11.640 -4.108 1.00 71.31 H new ATOM 0 HG3 LYS A 129 -9.639 9.998 -3.693 1.00 71.31 H new ATOM 0 HD2 LYS A 129 -9.371 10.355 -1.385 1.00 1.41 H new ATOM 0 HD3 LYS A 129 -8.277 11.705 -1.613 1.00 1.41 H new ATOM 0 HE2 LYS A 129 -10.970 12.135 -2.772 1.00 3.14 H new ATOM 0 HE3 LYS A 129 -10.974 11.913 -1.034 1.00 3.14 H new ATOM 0 HZ1 LYS A 129 -10.716 14.235 -1.620 1.00 30.53 H new ATOM 0 HZ2 LYS A 129 -9.319 13.677 -0.832 1.00 30.53 H new ATOM 0 HZ3 LYS A 129 -9.315 13.892 -2.516 1.00 30.53 H new ATOM 1918 N PRO A 130 -4.705 12.482 -4.825 1.00 22.05 N ATOM 1919 CA PRO A 130 -3.337 12.868 -4.467 1.00 41.44 C ATOM 1920 C PRO A 130 -3.259 13.519 -3.091 1.00 72.05 C ATOM 1921 O PRO A 130 -4.270 13.964 -2.545 1.00 51.21 O ATOM 1922 CB PRO A 130 -2.957 13.874 -5.557 1.00 32.13 C ATOM 1923 CG PRO A 130 -4.256 14.433 -6.026 1.00 14.43 C ATOM 1924 CD PRO A 130 -5.255 13.316 -5.906 1.00 51.24 C ATOM 0 HA PRO A 130 -2.672 12.006 -4.411 1.00 41.44 H new ATOM 0 HB2 PRO A 130 -2.308 14.657 -5.164 1.00 32.13 H new ATOM 0 HB3 PRO A 130 -2.417 13.391 -6.371 1.00 32.13 H new ATOM 0 HG2 PRO A 130 -4.554 15.289 -5.421 1.00 14.43 H new ATOM 0 HG3 PRO A 130 -4.182 14.781 -7.056 1.00 14.43 H new ATOM 0 HD2 PRO A 130 -6.249 13.690 -5.659 1.00 51.24 H new ATOM 0 HD3 PRO A 130 -5.347 12.757 -6.837 1.00 51.24 H new ATOM 1929 N PHE A 131 -2.055 13.573 -2.534 1.00 13.15 N ATOM 1930 CA PHE A 131 -1.846 14.171 -1.219 1.00 2.42 C ATOM 1931 C PHE A 131 -0.393 14.019 -0.778 1.00 31.24 C ATOM 1932 O PHE A 131 0.333 13.164 -1.282 1.00 3.23 O ATOM 1933 CB PHE A 131 -2.775 13.525 -0.189 1.00 4.42 C ATOM 1934 CG PHE A 131 -3.621 14.515 0.559 1.00 44.21 C ATOM 1935 CD1 PHE A 131 -3.077 15.283 1.575 1.00 55.32 C ATOM 1936 CD2 PHE A 131 -4.961 14.678 0.245 1.00 4.32 C ATOM 1937 CE1 PHE A 131 -3.854 16.195 2.265 1.00 43.13 C ATOM 1938 CE2 PHE A 131 -5.743 15.588 0.931 1.00 3.44 C ATOM 1939 CZ PHE A 131 -5.188 16.348 1.941 1.00 33.52 C ATOM 0 H PHE A 131 -1.208 13.210 -2.972 1.00 13.15 H new ATOM 0 HA PHE A 131 -2.076 15.234 -1.289 1.00 2.42 H new ATOM 0 HB2 PHE A 131 -3.426 12.812 -0.695 1.00 4.42 H new ATOM 0 HB3 PHE A 131 -2.176 12.959 0.524 1.00 4.42 H new ATOM 0 HD1 PHE A 131 -2.034 15.168 1.831 1.00 55.32 H new ATOM 0 HD2 PHE A 131 -5.399 14.087 -0.545 1.00 4.32 H new ATOM 0 HE1 PHE A 131 -3.418 16.787 3.056 1.00 43.13 H new ATOM 0 HE2 PHE A 131 -6.786 15.704 0.677 1.00 3.44 H new ATOM 0 HZ PHE A 131 -5.796 17.061 2.477 1.00 33.52 H new ATOM 1948 N MET A 132 0.022 14.856 0.168 1.00 5.43 N ATOM 1949 CA MET A 132 1.388 14.814 0.678 1.00 53.13 C ATOM 1950 C MET A 132 1.564 13.664 1.665 1.00 31.14 C ATOM 1951 O MET A 132 0.653 13.343 2.427 1.00 4.30 O ATOM 1952 CB MET A 132 1.743 16.140 1.353 1.00 62.52 C ATOM 1953 CG MET A 132 0.764 16.548 2.443 1.00 12.41 C ATOM 1954 SD MET A 132 0.257 18.273 2.310 1.00 52.41 S ATOM 1955 CE MET A 132 -0.703 18.230 0.800 1.00 44.22 C ATOM 0 H MET A 132 -0.567 15.570 0.596 1.00 5.43 H new ATOM 0 HA MET A 132 2.060 14.652 -0.165 1.00 53.13 H new ATOM 0 HB2 MET A 132 2.742 16.064 1.783 1.00 62.52 H new ATOM 0 HB3 MET A 132 1.780 16.925 0.597 1.00 62.52 H new ATOM 0 HG2 MET A 132 -0.118 15.909 2.392 1.00 12.41 H new ATOM 0 HG3 MET A 132 1.222 16.382 3.418 1.00 12.41 H new ATOM 0 HE1 MET A 132 -0.966 19.246 0.507 1.00 44.22 H new ATOM 0 HE2 MET A 132 -0.116 17.765 0.008 1.00 44.22 H new ATOM 0 HE3 MET A 132 -1.613 17.653 0.964 1.00 44.22 H new ATOM 1963 N ALA A 133 2.742 13.049 1.644 1.00 12.22 N ATOM 1964 CA ALA A 133 3.038 11.936 2.538 1.00 73.21 C ATOM 1965 C ALA A 133 4.542 11.753 2.708 1.00 53.33 C ATOM 1966 O ALA A 133 5.316 12.003 1.783 1.00 41.34 O ATOM 1967 CB ALA A 133 2.404 10.655 2.015 1.00 13.42 C ATOM 0 H ALA A 133 3.506 13.302 1.018 1.00 12.22 H new ATOM 0 HA ALA A 133 2.614 12.165 3.516 1.00 73.21 H new ATOM 0 HB1 ALA A 133 2.633 9.833 2.693 1.00 13.42 H new ATOM 0 HB2 ALA A 133 1.323 10.783 1.953 1.00 13.42 H new ATOM 0 HB3 ALA A 133 2.801 10.431 1.025 1.00 13.42 H new ATOM 1973 N ARG A 134 4.951 11.317 3.895 1.00 34.00 N ATOM 1974 CA ARG A 134 6.363 11.103 4.186 1.00 53.42 C ATOM 1975 C ARG A 134 6.617 9.664 4.623 1.00 60.34 C ATOM 1976 O ARG A 134 7.759 9.204 4.649 1.00 64.24 O ATOM 1977 CB ARG A 134 6.833 12.068 5.276 1.00 54.11 C ATOM 1978 CG ARG A 134 6.344 11.700 6.668 1.00 21.12 C ATOM 1979 CD ARG A 134 7.463 11.791 7.693 1.00 0.31 C ATOM 1980 NE ARG A 134 8.053 10.486 7.977 1.00 34.23 N ATOM 1981 CZ ARG A 134 7.552 9.629 8.859 1.00 22.30 C ATOM 1982 NH1 ARG A 134 6.456 9.937 9.538 1.00 20.44 N ATOM 1983 NH2 ARG A 134 8.146 8.459 9.061 1.00 11.02 N ATOM 0 H ARG A 134 4.324 11.105 4.671 1.00 34.00 H new ATOM 0 HA ARG A 134 6.928 11.292 3.273 1.00 53.42 H new ATOM 0 HB2 ARG A 134 7.923 12.097 5.279 1.00 54.11 H new ATOM 0 HB3 ARG A 134 6.488 13.073 5.033 1.00 54.11 H new ATOM 0 HG2 ARG A 134 5.530 12.365 6.956 1.00 21.12 H new ATOM 0 HG3 ARG A 134 5.940 10.688 6.657 1.00 21.12 H new ATOM 0 HD2 ARG A 134 8.236 12.466 7.326 1.00 0.31 H new ATOM 0 HD3 ARG A 134 7.075 12.222 8.616 1.00 0.31 H new ATOM 0 HE ARG A 134 8.896 10.218 7.470 1.00 34.23 H new ATOM 0 HH11 ARG A 134 5.996 10.834 9.384 1.00 20.44 H new ATOM 0 HH12 ARG A 134 6.073 9.277 10.215 1.00 20.44 H new ATOM 0 HH21 ARG A 134 8.988 8.218 8.538 1.00 11.02 H new ATOM 0 HH22 ARG A 134 7.760 7.802 9.739 1.00 11.02 H new ATOM 1994 N TYR A 135 5.544 8.958 4.965 1.00 1.33 N ATOM 1995 CA TYR A 135 5.650 7.571 5.403 1.00 11.32 C ATOM 1996 C TYR A 135 4.306 6.859 5.288 1.00 61.10 C ATOM 1997 O TYR A 135 3.320 7.266 5.901 1.00 73.21 O ATOM 1998 CB TYR A 135 6.152 7.508 6.846 1.00 33.32 C ATOM 1999 CG TYR A 135 6.032 6.136 7.470 1.00 5.12 C ATOM 2000 CD1 TYR A 135 4.867 5.744 8.117 1.00 63.53 C ATOM 2001 CD2 TYR A 135 7.084 5.229 7.409 1.00 70.12 C ATOM 2002 CE1 TYR A 135 4.753 4.491 8.688 1.00 51.00 C ATOM 2003 CE2 TYR A 135 6.979 3.974 7.976 1.00 11.53 C ATOM 2004 CZ TYR A 135 5.812 3.609 8.614 1.00 34.21 C ATOM 2005 OH TYR A 135 5.703 2.360 9.181 1.00 40.10 O ATOM 0 H TYR A 135 4.592 9.323 4.947 1.00 1.33 H new ATOM 0 HA TYR A 135 6.365 7.065 4.754 1.00 11.32 H new ATOM 0 HB2 TYR A 135 7.196 7.820 6.872 1.00 33.32 H new ATOM 0 HB3 TYR A 135 5.591 8.222 7.448 1.00 33.32 H new ATOM 0 HD1 TYR A 135 4.036 6.431 8.175 1.00 63.53 H new ATOM 0 HD2 TYR A 135 7.999 5.511 6.910 1.00 70.12 H new ATOM 0 HE1 TYR A 135 3.841 4.203 9.189 1.00 51.00 H new ATOM 0 HE2 TYR A 135 7.806 3.282 7.920 1.00 11.53 H new ATOM 0 HH TYR A 135 4.767 2.071 9.157 1.00 40.10 H new ATOM 2014 N VAL A 136 4.275 5.792 4.496 1.00 21.53 N ATOM 2015 CA VAL A 136 3.054 5.019 4.301 1.00 53.15 C ATOM 2016 C VAL A 136 3.189 3.619 4.887 1.00 50.22 C ATOM 2017 O VAL A 136 4.288 3.069 4.962 1.00 50.45 O ATOM 2018 CB VAL A 136 2.694 4.908 2.807 1.00 2.33 C ATOM 2019 CG1 VAL A 136 2.774 6.269 2.134 1.00 34.25 C ATOM 2020 CG2 VAL A 136 3.607 3.907 2.114 1.00 52.51 C ATOM 0 H VAL A 136 5.082 5.443 3.979 1.00 21.53 H new ATOM 0 HA VAL A 136 2.256 5.550 4.821 1.00 53.15 H new ATOM 0 HB VAL A 136 1.668 4.550 2.724 1.00 2.33 H new ATOM 0 HG11 VAL A 136 2.516 6.169 1.080 1.00 34.25 H new ATOM 0 HG12 VAL A 136 2.076 6.954 2.615 1.00 34.25 H new ATOM 0 HG13 VAL A 136 3.787 6.661 2.224 1.00 34.25 H new ATOM 0 HG21 VAL A 136 3.340 3.840 1.059 1.00 52.51 H new ATOM 0 HG22 VAL A 136 4.642 4.235 2.206 1.00 52.51 H new ATOM 0 HG23 VAL A 136 3.494 2.928 2.580 1.00 52.51 H new ATOM 2030 N ARG A 137 2.064 3.046 5.300 1.00 31.53 N ATOM 2031 CA ARG A 137 2.056 1.708 5.881 1.00 3.52 C ATOM 2032 C ARG A 137 1.074 0.802 5.145 1.00 23.11 C ATOM 2033 O ARG A 137 -0.047 1.205 4.837 1.00 64.01 O ATOM 2034 CB ARG A 137 1.691 1.775 7.365 1.00 64.43 C ATOM 2035 CG ARG A 137 2.206 0.595 8.173 1.00 55.31 C ATOM 2036 CD ARG A 137 2.334 0.943 9.648 1.00 53.33 C ATOM 2037 NE ARG A 137 1.290 0.315 10.451 1.00 64.42 N ATOM 2038 CZ ARG A 137 1.315 -0.960 10.823 1.00 1.54 C ATOM 2039 NH1 ARG A 137 2.327 -1.738 10.464 1.00 31.14 N ATOM 2040 NH2 ARG A 137 0.327 -1.459 11.553 1.00 31.32 N ATOM 0 H ARG A 137 1.146 3.487 5.243 1.00 31.53 H new ATOM 0 HA ARG A 137 3.057 1.289 5.779 1.00 3.52 H new ATOM 0 HB2 ARG A 137 2.092 2.696 7.788 1.00 64.43 H new ATOM 0 HB3 ARG A 137 0.606 1.825 7.462 1.00 64.43 H new ATOM 0 HG2 ARG A 137 1.529 -0.251 8.055 1.00 55.31 H new ATOM 0 HG3 ARG A 137 3.176 0.283 7.786 1.00 55.31 H new ATOM 0 HD2 ARG A 137 3.311 0.626 10.012 1.00 53.33 H new ATOM 0 HD3 ARG A 137 2.284 2.025 9.771 1.00 53.33 H new ATOM 0 HE ARG A 137 0.497 0.887 10.743 1.00 64.42 H new ATOM 0 HH11 ARG A 137 3.088 -1.358 9.901 1.00 31.14 H new ATOM 0 HH12 ARG A 137 2.344 -2.717 10.751 1.00 31.14 H new ATOM 0 HH21 ARG A 137 -0.454 -0.864 11.830 1.00 31.32 H new ATOM 0 HH22 ARG A 137 0.348 -2.438 11.838 1.00 31.32 H new ATOM 2051 N VAL A 138 1.505 -0.425 4.865 1.00 52.43 N ATOM 2052 CA VAL A 138 0.664 -1.389 4.165 1.00 72.31 C ATOM 2053 C VAL A 138 0.594 -2.709 4.924 1.00 2.44 C ATOM 2054 O VAL A 138 1.610 -3.216 5.404 1.00 70.14 O ATOM 2055 CB VAL A 138 1.181 -1.654 2.739 1.00 35.42 C ATOM 2056 CG1 VAL A 138 0.214 -2.548 1.977 1.00 55.30 C ATOM 2057 CG2 VAL A 138 1.404 -0.343 2.000 1.00 21.42 C ATOM 0 H VAL A 138 2.431 -0.774 5.112 1.00 52.43 H new ATOM 0 HA VAL A 138 -0.334 -0.955 4.105 1.00 72.31 H new ATOM 0 HB VAL A 138 2.138 -2.172 2.809 1.00 35.42 H new ATOM 0 HG11 VAL A 138 0.596 -2.724 0.972 1.00 55.30 H new ATOM 0 HG12 VAL A 138 0.111 -3.500 2.498 1.00 55.30 H new ATOM 0 HG13 VAL A 138 -0.759 -2.061 1.915 1.00 55.30 H new ATOM 0 HG21 VAL A 138 1.769 -0.550 0.994 1.00 21.42 H new ATOM 0 HG22 VAL A 138 0.464 0.205 1.939 1.00 21.42 H new ATOM 0 HG23 VAL A 138 2.139 0.257 2.537 1.00 21.42 H new ATOM 2067 N LEU A 139 -0.608 -3.263 5.026 1.00 23.21 N ATOM 2068 CA LEU A 139 -0.811 -4.528 5.726 1.00 10.21 C ATOM 2069 C LEU A 139 -1.786 -5.421 4.965 1.00 15.04 C ATOM 2070 O LEU A 139 -2.996 -5.198 4.959 1.00 53.43 O ATOM 2071 CB LEU A 139 -1.335 -4.272 7.141 1.00 13.22 C ATOM 2072 CG LEU A 139 -1.930 -5.480 7.865 1.00 41.43 C ATOM 2073 CD1 LEU A 139 -0.887 -6.575 8.023 1.00 30.23 C ATOM 2074 CD2 LEU A 139 -2.485 -5.069 9.221 1.00 11.50 C ATOM 0 H LEU A 139 -1.458 -2.857 4.633 1.00 23.21 H new ATOM 0 HA LEU A 139 0.150 -5.039 5.787 1.00 10.21 H new ATOM 0 HB2 LEU A 139 -0.517 -3.879 7.744 1.00 13.22 H new ATOM 0 HB3 LEU A 139 -2.096 -3.493 7.090 1.00 13.22 H new ATOM 0 HG LEU A 139 -2.750 -5.872 7.263 1.00 41.43 H new ATOM 0 HD11 LEU A 139 -1.329 -7.426 8.540 1.00 30.23 H new ATOM 0 HD12 LEU A 139 -0.538 -6.889 7.040 1.00 30.23 H new ATOM 0 HD13 LEU A 139 -0.046 -6.195 8.602 1.00 30.23 H new ATOM 0 HD21 LEU A 139 -2.904 -5.941 9.722 1.00 11.50 H new ATOM 0 HD22 LEU A 139 -1.684 -4.651 9.830 1.00 11.50 H new ATOM 0 HD23 LEU A 139 -3.265 -4.320 9.083 1.00 11.50 H new ATOM 2085 N PRO A 140 -1.246 -6.461 4.309 1.00 74.14 N ATOM 2086 CA PRO A 140 -2.051 -7.411 3.535 1.00 71.14 C ATOM 2087 C PRO A 140 -2.919 -8.295 4.425 1.00 54.31 C ATOM 2088 O PRO A 140 -2.509 -8.686 5.517 1.00 31.13 O ATOM 2089 CB PRO A 140 -1.001 -8.252 2.806 1.00 13.31 C ATOM 2090 CG PRO A 140 0.217 -8.159 3.657 1.00 15.14 C ATOM 2091 CD PRO A 140 0.189 -6.788 4.274 1.00 62.31 C ATOM 0 HA PRO A 140 -2.750 -6.906 2.869 1.00 71.14 H new ATOM 0 HB2 PRO A 140 -1.329 -9.286 2.696 1.00 13.31 H new ATOM 0 HB3 PRO A 140 -0.813 -7.868 1.803 1.00 13.31 H new ATOM 0 HG2 PRO A 140 0.216 -8.932 4.425 1.00 15.14 H new ATOM 0 HG3 PRO A 140 1.120 -8.301 3.063 1.00 15.14 H new ATOM 0 HD2 PRO A 140 0.626 -6.787 5.273 1.00 62.31 H new ATOM 0 HD3 PRO A 140 0.751 -6.068 3.680 1.00 62.31 H new ATOM 2096 N VAL A 141 -4.120 -8.608 3.949 1.00 55.11 N ATOM 2097 CA VAL A 141 -5.045 -9.448 4.700 1.00 13.44 C ATOM 2098 C VAL A 141 -5.326 -10.752 3.962 1.00 41.12 C ATOM 2099 O VAL A 141 -5.275 -11.833 4.549 1.00 75.42 O ATOM 2100 CB VAL A 141 -6.377 -8.721 4.961 1.00 35.24 C ATOM 2101 CG1 VAL A 141 -7.349 -9.634 5.694 1.00 40.43 C ATOM 2102 CG2 VAL A 141 -6.140 -7.441 5.749 1.00 2.02 C ATOM 0 H VAL A 141 -4.475 -8.292 3.046 1.00 55.11 H new ATOM 0 HA VAL A 141 -4.568 -9.670 5.654 1.00 13.44 H new ATOM 0 HB VAL A 141 -6.819 -8.454 4.001 1.00 35.24 H new ATOM 0 HG11 VAL A 141 -8.285 -9.103 5.870 1.00 40.43 H new ATOM 0 HG12 VAL A 141 -7.543 -10.520 5.089 1.00 40.43 H new ATOM 0 HG13 VAL A 141 -6.917 -9.934 6.649 1.00 40.43 H new ATOM 0 HG21 VAL A 141 -7.092 -6.940 5.924 1.00 2.02 H new ATOM 0 HG22 VAL A 141 -5.676 -7.683 6.705 1.00 2.02 H new ATOM 0 HG23 VAL A 141 -5.482 -6.782 5.183 1.00 2.02 H new ATOM 2112 N SER A 142 -5.622 -10.643 2.672 1.00 42.55 N ATOM 2113 CA SER A 142 -5.915 -11.813 1.852 1.00 73.42 C ATOM 2114 C SER A 142 -5.011 -11.857 0.625 1.00 44.05 C ATOM 2115 O SER A 142 -4.952 -10.903 -0.151 1.00 44.21 O ATOM 2116 CB SER A 142 -7.383 -11.804 1.419 1.00 30.12 C ATOM 2117 OG SER A 142 -8.185 -11.103 2.353 1.00 42.35 O ATOM 0 H SER A 142 -5.666 -9.756 2.171 1.00 42.55 H new ATOM 0 HA SER A 142 -5.726 -12.703 2.452 1.00 73.42 H new ATOM 0 HB2 SER A 142 -7.473 -11.340 0.437 1.00 30.12 H new ATOM 0 HB3 SER A 142 -7.743 -12.828 1.322 1.00 30.12 H new ATOM 0 HG SER A 142 -9.118 -11.110 2.053 1.00 42.35 H new ATOM 2122 N TRP A 143 -4.309 -12.972 0.456 1.00 51.30 N ATOM 2123 CA TRP A 143 -3.407 -13.141 -0.678 1.00 1.14 C ATOM 2124 C TRP A 143 -3.674 -14.461 -1.393 1.00 21.04 C ATOM 2125 O TRP A 143 -4.489 -15.268 -0.945 1.00 50.11 O ATOM 2126 CB TRP A 143 -1.951 -13.086 -0.211 1.00 52.11 C ATOM 2127 CG TRP A 143 -1.581 -14.204 0.715 1.00 64.53 C ATOM 2128 CD1 TRP A 143 -0.836 -15.307 0.412 1.00 23.23 C ATOM 2129 CD2 TRP A 143 -1.943 -14.329 2.095 1.00 21.21 C ATOM 2130 NE1 TRP A 143 -0.711 -16.110 1.520 1.00 41.04 N ATOM 2131 CE2 TRP A 143 -1.381 -15.532 2.566 1.00 50.41 C ATOM 2132 CE3 TRP A 143 -2.684 -13.541 2.980 1.00 21.12 C ATOM 2133 CZ2 TRP A 143 -1.539 -15.963 3.880 1.00 32.34 C ATOM 2134 CZ3 TRP A 143 -2.841 -13.971 4.283 1.00 74.14 C ATOM 2135 CH2 TRP A 143 -2.270 -15.172 4.724 1.00 0.10 C ATOM 0 H TRP A 143 -4.347 -13.771 1.089 1.00 51.30 H new ATOM 0 HA TRP A 143 -3.588 -12.326 -1.379 1.00 1.14 H new ATOM 0 HB2 TRP A 143 -1.296 -13.114 -1.082 1.00 52.11 H new ATOM 0 HB3 TRP A 143 -1.774 -12.135 0.291 1.00 52.11 H new ATOM 0 HD1 TRP A 143 -0.408 -15.518 -0.557 1.00 23.23 H new ATOM 0 HE1 TRP A 143 -0.202 -16.993 1.558 1.00 41.04 H new ATOM 0 HE3 TRP A 143 -3.126 -12.612 2.651 1.00 21.12 H new ATOM 0 HZ2 TRP A 143 -1.100 -16.889 4.221 1.00 32.34 H new ATOM 0 HZ3 TRP A 143 -3.414 -13.371 4.974 1.00 74.14 H new ATOM 0 HH2 TRP A 143 -2.409 -15.479 5.750 1.00 0.10 H new ATOM 2145 N HIS A 144 -2.981 -14.677 -2.508 1.00 71.12 N ATOM 2146 CA HIS A 144 -3.143 -15.901 -3.285 1.00 75.32 C ATOM 2147 C HIS A 144 -1.793 -16.554 -3.556 1.00 4.43 C ATOM 2148 O HIS A 144 -0.880 -15.921 -4.084 1.00 73.04 O ATOM 2149 CB HIS A 144 -3.854 -15.600 -4.605 1.00 3.04 C ATOM 2150 CG HIS A 144 -5.347 -15.671 -4.511 1.00 42.31 C ATOM 2151 ND1 HIS A 144 -6.032 -16.845 -4.282 1.00 75.41 N ATOM 2152 CD2 HIS A 144 -6.286 -14.703 -4.618 1.00 62.31 C ATOM 2153 CE1 HIS A 144 -7.328 -16.596 -4.251 1.00 64.04 C ATOM 2154 NE2 HIS A 144 -7.510 -15.304 -4.453 1.00 74.41 N ATOM 0 H HIS A 144 -2.302 -14.020 -2.893 1.00 71.12 H new ATOM 0 HA HIS A 144 -3.751 -16.595 -2.704 1.00 75.32 H new ATOM 0 HB2 HIS A 144 -3.566 -14.605 -4.944 1.00 3.04 H new ATOM 0 HB3 HIS A 144 -3.512 -16.306 -5.362 1.00 3.04 H new ATOM 0 HD2 HIS A 144 -6.107 -13.654 -4.799 1.00 62.31 H new ATOM 0 HE1 HIS A 144 -8.107 -17.326 -4.088 1.00 64.04 H new ATOM 0 HE2 HIS A 144 -8.412 -14.830 -4.482 1.00 74.41 H new ATOM 2161 N ASN A 145 -1.673 -17.827 -3.191 1.00 0.15 N ATOM 2162 CA ASN A 145 -0.431 -18.566 -3.395 1.00 64.52 C ATOM 2163 C ASN A 145 0.637 -18.119 -2.403 1.00 0.22 C ATOM 2164 O ASN A 145 1.007 -18.863 -1.494 1.00 40.14 O ATOM 2165 CB ASN A 145 0.072 -18.374 -4.827 1.00 33.31 C ATOM 2166 CG ASN A 145 -1.055 -18.381 -5.841 1.00 53.43 C ATOM 2167 OD1 ASN A 145 -1.300 -17.232 -6.461 1.00 3.11 O flip ATOM 2168 ND2 ASN A 145 -1.697 -19.406 -6.066 1.00 15.45 N flip ATOM 0 H ASN A 145 -2.419 -18.368 -2.753 1.00 0.15 H new ATOM 0 HA ASN A 145 -0.635 -19.624 -3.228 1.00 64.52 H new ATOM 0 HB2 ASN A 145 0.613 -17.430 -4.896 1.00 33.31 H new ATOM 0 HB3 ASN A 145 0.780 -19.166 -5.070 1.00 33.31 H new ATOM 0 HD21 ASN A 145 -1.475 -20.267 -5.566 1.00 15.45 H new ATOM 0 HD22 ASN A 145 -2.452 -19.395 -6.752 1.00 15.45 H new ATOM 2174 N ARG A 146 1.131 -16.898 -2.584 1.00 62.55 N ATOM 2175 CA ARG A 146 2.158 -16.351 -1.705 1.00 62.03 C ATOM 2176 C ARG A 146 2.213 -14.831 -1.814 1.00 53.55 C ATOM 2177 O ARG A 146 2.046 -14.269 -2.898 1.00 1.01 O ATOM 2178 CB ARG A 146 3.524 -16.947 -2.050 1.00 24.12 C ATOM 2179 CG ARG A 146 4.198 -17.643 -0.878 1.00 41.31 C ATOM 2180 CD ARG A 146 5.280 -16.771 -0.261 1.00 75.54 C ATOM 2181 NE ARG A 146 6.610 -17.348 -0.430 1.00 35.03 N ATOM 2182 CZ ARG A 146 7.013 -18.457 0.179 1.00 11.32 C ATOM 2183 NH1 ARG A 146 6.193 -19.107 0.991 1.00 62.24 N ATOM 2184 NH2 ARG A 146 8.240 -18.920 -0.026 1.00 43.42 N ATOM 0 H ARG A 146 0.837 -16.269 -3.331 1.00 62.55 H new ATOM 0 HA ARG A 146 1.902 -16.616 -0.679 1.00 62.03 H new ATOM 0 HB2 ARG A 146 3.404 -17.660 -2.865 1.00 24.12 H new ATOM 0 HB3 ARG A 146 4.176 -16.153 -2.414 1.00 24.12 H new ATOM 0 HG2 ARG A 146 3.453 -17.890 -0.122 1.00 41.31 H new ATOM 0 HG3 ARG A 146 4.634 -18.584 -1.214 1.00 41.31 H new ATOM 0 HD2 ARG A 146 5.253 -15.782 -0.718 1.00 75.54 H new ATOM 0 HD3 ARG A 146 5.075 -16.637 0.801 1.00 75.54 H new ATOM 0 HE ARG A 146 7.266 -16.873 -1.050 1.00 35.03 H new ATOM 0 HH11 ARG A 146 5.249 -18.756 1.150 1.00 62.24 H new ATOM 0 HH12 ARG A 146 6.506 -19.959 1.457 1.00 62.24 H new ATOM 0 HH21 ARG A 146 8.874 -18.424 -0.652 1.00 43.42 H new ATOM 0 HH22 ARG A 146 8.548 -19.772 0.442 1.00 43.42 H new ATOM 2195 N ILE A 147 2.448 -14.170 -0.686 1.00 73.25 N ATOM 2196 CA ILE A 147 2.525 -12.714 -0.655 1.00 63.35 C ATOM 2197 C ILE A 147 3.743 -12.211 -1.423 1.00 65.01 C ATOM 2198 O ILE A 147 4.801 -11.969 -0.843 1.00 13.11 O ATOM 2199 CB ILE A 147 2.589 -12.184 0.789 1.00 64.45 C ATOM 2200 CG1 ILE A 147 1.338 -12.602 1.565 1.00 50.23 C ATOM 2201 CG2 ILE A 147 2.739 -10.670 0.792 1.00 72.01 C ATOM 2202 CD1 ILE A 147 1.500 -13.904 2.317 1.00 41.43 C ATOM 0 H ILE A 147 2.588 -14.619 0.219 1.00 73.25 H new ATOM 0 HA ILE A 147 1.618 -12.340 -1.131 1.00 63.35 H new ATOM 0 HB ILE A 147 3.460 -12.617 1.280 1.00 64.45 H new ATOM 0 HG12 ILE A 147 1.078 -11.814 2.272 1.00 50.23 H new ATOM 0 HG13 ILE A 147 0.503 -12.695 0.870 1.00 50.23 H new ATOM 0 HG21 ILE A 147 2.783 -10.311 1.820 1.00 72.01 H new ATOM 0 HG22 ILE A 147 3.656 -10.394 0.272 1.00 72.01 H new ATOM 0 HG23 ILE A 147 1.885 -10.219 0.286 1.00 72.01 H new ATOM 0 HD11 ILE A 147 0.575 -14.138 2.844 1.00 41.43 H new ATOM 0 HD12 ILE A 147 1.729 -14.704 1.614 1.00 41.43 H new ATOM 0 HD13 ILE A 147 2.313 -13.810 3.037 1.00 41.43 H new ATOM 2213 N THR A 148 3.585 -12.056 -2.734 1.00 3.31 N ATOM 2214 CA THR A 148 4.671 -11.581 -3.584 1.00 25.32 C ATOM 2215 C THR A 148 4.166 -10.573 -4.609 1.00 13.55 C ATOM 2216 O THR A 148 3.492 -10.936 -5.572 1.00 41.34 O ATOM 2217 CB THR A 148 5.357 -12.747 -4.321 1.00 13.33 C ATOM 2218 OG1 THR A 148 5.126 -13.974 -3.620 1.00 44.34 O ATOM 2219 CG2 THR A 148 6.854 -12.502 -4.446 1.00 61.45 C ATOM 0 H THR A 148 2.716 -12.252 -3.230 1.00 3.31 H new ATOM 0 HA THR A 148 5.396 -11.097 -2.930 1.00 25.32 H new ATOM 0 HB THR A 148 4.931 -12.816 -5.322 1.00 13.33 H new ATOM 0 HG1 THR A 148 5.564 -14.710 -4.096 1.00 44.34 H new ATOM 0 HG21 THR A 148 7.317 -13.338 -4.970 1.00 61.45 H new ATOM 0 HG22 THR A 148 7.027 -11.583 -5.006 1.00 61.45 H new ATOM 0 HG23 THR A 148 7.292 -12.409 -3.452 1.00 61.45 H new ATOM 2227 N LEU A 149 4.499 -9.304 -4.396 1.00 61.41 N ATOM 2228 CA LEU A 149 4.080 -8.241 -5.303 1.00 63.12 C ATOM 2229 C LEU A 149 4.905 -6.978 -5.080 1.00 33.12 C ATOM 2230 O LEU A 149 5.747 -6.926 -4.183 1.00 13.42 O ATOM 2231 CB LEU A 149 2.594 -7.935 -5.109 1.00 42.13 C ATOM 2232 CG LEU A 149 2.225 -7.188 -3.827 1.00 62.23 C ATOM 2233 CD1 LEU A 149 3.036 -7.712 -2.652 1.00 74.14 C ATOM 2234 CD2 LEU A 149 2.439 -5.691 -4.002 1.00 31.11 C ATOM 0 H LEU A 149 5.057 -8.987 -3.604 1.00 61.41 H new ATOM 0 HA LEU A 149 4.244 -8.583 -6.325 1.00 63.12 H new ATOM 0 HB2 LEU A 149 2.250 -7.347 -5.960 1.00 42.13 H new ATOM 0 HB3 LEU A 149 2.044 -8.876 -5.129 1.00 42.13 H new ATOM 0 HG LEU A 149 1.169 -7.361 -3.618 1.00 62.23 H new ATOM 0 HD11 LEU A 149 2.760 -7.169 -1.748 1.00 74.14 H new ATOM 0 HD12 LEU A 149 2.832 -8.774 -2.514 1.00 74.14 H new ATOM 0 HD13 LEU A 149 4.098 -7.570 -2.851 1.00 74.14 H new ATOM 0 HD21 LEU A 149 2.171 -5.175 -3.080 1.00 31.11 H new ATOM 0 HD22 LEU A 149 3.486 -5.498 -4.235 1.00 31.11 H new ATOM 0 HD23 LEU A 149 1.813 -5.327 -4.816 1.00 31.11 H new ATOM 2245 N ARG A 150 4.655 -5.961 -5.899 1.00 23.30 N ATOM 2246 CA ARG A 150 5.375 -4.698 -5.789 1.00 65.11 C ATOM 2247 C ARG A 150 4.408 -3.517 -5.828 1.00 22.52 C ATOM 2248 O ARG A 150 3.557 -3.426 -6.713 1.00 2.20 O ATOM 2249 CB ARG A 150 6.397 -4.570 -6.919 1.00 12.44 C ATOM 2250 CG ARG A 150 6.740 -3.132 -7.271 1.00 55.22 C ATOM 2251 CD ARG A 150 5.863 -2.610 -8.398 1.00 12.43 C ATOM 2252 NE ARG A 150 6.571 -2.586 -9.676 1.00 23.21 N ATOM 2253 CZ ARG A 150 6.093 -2.003 -10.769 1.00 1.20 C ATOM 2254 NH1 ARG A 150 4.914 -1.398 -10.742 1.00 12.13 N ATOM 2255 NH2 ARG A 150 6.796 -2.025 -11.895 1.00 14.14 N ATOM 0 H ARG A 150 3.960 -5.987 -6.645 1.00 23.30 H new ATOM 0 HA ARG A 150 5.897 -4.688 -4.832 1.00 65.11 H new ATOM 0 HB2 ARG A 150 7.310 -5.092 -6.633 1.00 12.44 H new ATOM 0 HB3 ARG A 150 6.009 -5.070 -7.807 1.00 12.44 H new ATOM 0 HG2 ARG A 150 6.617 -2.501 -6.391 1.00 55.22 H new ATOM 0 HG3 ARG A 150 7.788 -3.068 -7.564 1.00 55.22 H new ATOM 0 HD2 ARG A 150 4.976 -3.237 -8.487 1.00 12.43 H new ATOM 0 HD3 ARG A 150 5.520 -1.604 -8.155 1.00 12.43 H new ATOM 0 HE ARG A 150 7.482 -3.042 -9.731 1.00 23.21 H new ATOM 0 HH11 ARG A 150 4.370 -1.379 -9.879 1.00 12.13 H new ATOM 0 HH12 ARG A 150 4.551 -0.951 -11.584 1.00 12.13 H new ATOM 0 HH21 ARG A 150 7.704 -2.490 -11.921 1.00 14.14 H new ATOM 0 HH22 ARG A 150 6.429 -1.577 -12.734 1.00 14.14 H new ATOM 2266 N LEU A 151 4.545 -2.617 -4.861 1.00 52.02 N ATOM 2267 CA LEU A 151 3.683 -1.441 -4.783 1.00 4.15 C ATOM 2268 C LEU A 151 4.471 -0.168 -5.077 1.00 65.30 C ATOM 2269 O LEU A 151 5.083 0.414 -4.182 1.00 2.42 O ATOM 2270 CB LEU A 151 3.040 -1.348 -3.399 1.00 74.24 C ATOM 2271 CG LEU A 151 2.151 -0.128 -3.152 1.00 41.43 C ATOM 2272 CD1 LEU A 151 0.682 -0.508 -3.251 1.00 30.20 C ATOM 2273 CD2 LEU A 151 2.455 0.488 -1.794 1.00 42.25 C ATOM 0 H LEU A 151 5.244 -2.678 -4.120 1.00 52.02 H new ATOM 0 HA LEU A 151 2.900 -1.543 -5.535 1.00 4.15 H new ATOM 0 HB2 LEU A 151 2.444 -2.246 -3.236 1.00 74.24 H new ATOM 0 HB3 LEU A 151 3.833 -1.352 -2.651 1.00 74.24 H new ATOM 0 HG LEU A 151 2.365 0.614 -3.921 1.00 41.43 H new ATOM 0 HD11 LEU A 151 0.065 0.373 -3.072 1.00 30.20 H new ATOM 0 HD12 LEU A 151 0.474 -0.901 -4.246 1.00 30.20 H new ATOM 0 HD13 LEU A 151 0.452 -1.269 -2.505 1.00 30.20 H new ATOM 0 HD21 LEU A 151 1.813 1.355 -1.636 1.00 42.25 H new ATOM 0 HD22 LEU A 151 2.271 -0.248 -1.011 1.00 42.25 H new ATOM 0 HD23 LEU A 151 3.499 0.799 -1.761 1.00 42.25 H new ATOM 2284 N GLU A 152 4.448 0.257 -6.336 1.00 52.11 N ATOM 2285 CA GLU A 152 5.160 1.463 -6.747 1.00 64.52 C ATOM 2286 C GLU A 152 4.307 2.705 -6.508 1.00 43.24 C ATOM 2287 O GLU A 152 3.090 2.683 -6.700 1.00 11.14 O ATOM 2288 CB GLU A 152 5.550 1.372 -8.224 1.00 73.23 C ATOM 2289 CG GLU A 152 7.051 1.372 -8.458 1.00 44.13 C ATOM 2290 CD GLU A 152 7.511 2.550 -9.294 1.00 11.40 C ATOM 2291 OE1 GLU A 152 7.428 3.695 -8.801 1.00 4.21 O ATOM 2292 OE2 GLU A 152 7.954 2.328 -10.441 1.00 23.40 O ATOM 0 H GLU A 152 3.945 -0.214 -7.088 1.00 52.11 H new ATOM 0 HA GLU A 152 6.065 1.545 -6.145 1.00 64.52 H new ATOM 0 HB2 GLU A 152 5.125 0.462 -8.648 1.00 73.23 H new ATOM 0 HB3 GLU A 152 5.107 2.211 -8.760 1.00 73.23 H new ATOM 0 HG2 GLU A 152 7.565 1.391 -7.497 1.00 44.13 H new ATOM 0 HG3 GLU A 152 7.338 0.445 -8.955 1.00 44.13 H new ATOM 2297 N LEU A 153 4.953 3.787 -6.091 1.00 13.13 N ATOM 2298 CA LEU A 153 4.256 5.041 -5.826 1.00 52.03 C ATOM 2299 C LEU A 153 4.699 6.127 -6.801 1.00 55.01 C ATOM 2300 O LEU A 153 5.883 6.249 -7.115 1.00 54.21 O ATOM 2301 CB LEU A 153 4.511 5.495 -4.387 1.00 51.12 C ATOM 2302 CG LEU A 153 5.978 5.632 -3.977 1.00 51.21 C ATOM 2303 CD1 LEU A 153 6.399 7.093 -3.979 1.00 30.02 C ATOM 2304 CD2 LEU A 153 6.209 5.010 -2.607 1.00 74.12 C ATOM 0 H LEU A 153 5.959 3.822 -5.929 1.00 13.13 H new ATOM 0 HA LEU A 153 3.188 4.871 -5.962 1.00 52.03 H new ATOM 0 HB2 LEU A 153 4.022 6.458 -4.239 1.00 51.12 H new ATOM 0 HB3 LEU A 153 4.031 4.786 -3.713 1.00 51.12 H new ATOM 0 HG LEU A 153 6.590 5.098 -4.704 1.00 51.21 H new ATOM 0 HD11 LEU A 153 7.446 7.170 -3.685 1.00 30.02 H new ATOM 0 HD12 LEU A 153 6.272 7.507 -4.979 1.00 30.02 H new ATOM 0 HD13 LEU A 153 5.782 7.650 -3.274 1.00 30.02 H new ATOM 0 HD21 LEU A 153 7.258 5.117 -2.331 1.00 74.12 H new ATOM 0 HD22 LEU A 153 5.587 5.515 -1.868 1.00 74.12 H new ATOM 0 HD23 LEU A 153 5.948 3.952 -2.639 1.00 74.12 H new ATOM 2315 N LEU A 154 3.741 6.916 -7.274 1.00 71.14 N ATOM 2316 CA LEU A 154 4.032 7.995 -8.212 1.00 64.45 C ATOM 2317 C LEU A 154 3.593 9.342 -7.645 1.00 45.01 C ATOM 2318 O LEU A 154 2.607 9.428 -6.914 1.00 53.03 O ATOM 2319 CB LEU A 154 3.331 7.739 -9.548 1.00 33.34 C ATOM 2320 CG LEU A 154 3.388 6.303 -10.069 1.00 43.32 C ATOM 2321 CD1 LEU A 154 2.342 6.087 -11.152 1.00 41.34 C ATOM 2322 CD2 LEU A 154 4.778 5.980 -10.597 1.00 53.33 C ATOM 0 H LEU A 154 2.756 6.829 -7.024 1.00 71.14 H new ATOM 0 HA LEU A 154 5.110 8.022 -8.373 1.00 64.45 H new ATOM 0 HB2 LEU A 154 2.285 8.027 -9.448 1.00 33.34 H new ATOM 0 HB3 LEU A 154 3.772 8.395 -10.299 1.00 33.34 H new ATOM 0 HG LEU A 154 3.171 5.628 -9.241 1.00 43.32 H new ATOM 0 HD11 LEU A 154 2.397 5.059 -11.511 1.00 41.34 H new ATOM 0 HD12 LEU A 154 1.350 6.275 -10.742 1.00 41.34 H new ATOM 0 HD13 LEU A 154 2.529 6.771 -11.980 1.00 41.34 H new ATOM 0 HD21 LEU A 154 4.799 4.954 -10.963 1.00 53.33 H new ATOM 0 HD22 LEU A 154 5.025 6.661 -11.411 1.00 53.33 H new ATOM 0 HD23 LEU A 154 5.507 6.094 -9.795 1.00 53.33 H new ATOM 2333 N GLY A 155 4.331 10.392 -7.991 1.00 13.21 N ATOM 2334 CA GLY A 155 4.002 11.721 -7.509 1.00 51.40 C ATOM 2335 C GLY A 155 3.988 12.753 -8.620 1.00 70.53 C ATOM 2336 O GLY A 155 4.110 12.411 -9.797 1.00 4.03 O ATOM 0 H GLY A 155 5.151 10.346 -8.596 1.00 13.21 H new ATOM 0 HA2 GLY A 155 3.025 11.698 -7.026 1.00 51.40 H new ATOM 0 HA3 GLY A 155 4.725 12.018 -6.750 1.00 51.40 H new ATOM 2340 N CYS A 156 3.836 14.019 -8.247 1.00 20.31 N ATOM 2341 CA CYS A 156 3.803 15.104 -9.220 1.00 73.11 C ATOM 2342 C CYS A 156 5.112 15.889 -9.204 1.00 11.03 C ATOM 2343 O CYS A 156 5.422 16.620 -10.145 1.00 4.44 O ATOM 2344 CB CYS A 156 2.630 16.042 -8.929 1.00 55.14 C ATOM 2345 SG CYS A 156 2.122 17.061 -10.352 1.00 62.21 S ATOM 0 H CYS A 156 3.734 14.319 -7.277 1.00 20.31 H new ATOM 0 HA CYS A 156 3.674 14.667 -10.210 1.00 73.11 H new ATOM 0 HB2 CYS A 156 1.778 15.449 -8.598 1.00 55.14 H new ATOM 0 HB3 CYS A 156 2.901 16.700 -8.103 1.00 55.14 H new ATOM 2349 N LEU A 157 5.876 15.732 -8.129 1.00 22.55 N ATOM 2350 CA LEU A 157 7.152 16.424 -7.989 1.00 11.11 C ATOM 2351 C LEU A 157 6.986 17.924 -8.217 1.00 24.34 C ATOM 2352 O LEU A 157 7.908 18.596 -8.678 1.00 64.03 O ATOM 2353 CB LEU A 157 8.174 15.857 -8.976 1.00 73.21 C ATOM 2354 CG LEU A 157 9.527 15.459 -8.387 1.00 34.44 C ATOM 2355 CD1 LEU A 157 10.269 16.685 -7.878 1.00 13.13 C ATOM 2356 CD2 LEU A 157 9.345 14.443 -7.269 1.00 22.53 C ATOM 0 H LEU A 157 5.634 15.131 -7.341 1.00 22.55 H new ATOM 0 HA LEU A 157 7.512 16.267 -6.972 1.00 11.11 H new ATOM 0 HB2 LEU A 157 7.738 14.981 -9.457 1.00 73.21 H new ATOM 0 HB3 LEU A 157 8.344 16.598 -9.757 1.00 73.21 H new ATOM 0 HG LEU A 157 10.123 14.999 -9.175 1.00 34.44 H new ATOM 0 HD11 LEU A 157 11.230 16.382 -7.462 1.00 13.13 H new ATOM 0 HD12 LEU A 157 10.433 17.379 -8.702 1.00 13.13 H new ATOM 0 HD13 LEU A 157 9.677 17.174 -7.104 1.00 13.13 H new ATOM 0 HD21 LEU A 157 10.319 14.172 -6.862 1.00 22.53 H new ATOM 0 HD22 LEU A 157 8.730 14.876 -6.480 1.00 22.53 H new ATOM 0 HD23 LEU A 157 8.855 13.552 -7.663 1.00 22.53 H new ATOM 2367 N GLU A 158 5.806 18.439 -7.888 1.00 52.13 N ATOM 2368 CA GLU A 158 5.521 19.859 -8.056 1.00 50.14 C ATOM 2369 C GLU A 158 5.479 20.570 -6.706 1.00 41.13 C ATOM 2370 O GLU A 158 6.025 20.079 -5.719 1.00 2.01 O ATOM 2371 CB GLU A 158 4.190 20.052 -8.787 1.00 40.02 C ATOM 2372 CG GLU A 158 4.211 21.185 -9.799 1.00 51.04 C ATOM 2373 CD GLU A 158 2.830 21.518 -10.330 1.00 63.02 C ATOM 2374 OE1 GLU A 158 2.074 20.575 -10.649 1.00 31.53 O ATOM 2375 OE2 GLU A 158 2.504 22.719 -10.429 1.00 32.15 O ATOM 0 H GLU A 158 5.033 17.895 -7.504 1.00 52.13 H new ATOM 0 HA GLU A 158 6.322 20.295 -8.652 1.00 50.14 H new ATOM 0 HB2 GLU A 158 3.927 19.125 -9.297 1.00 40.02 H new ATOM 0 HB3 GLU A 158 3.407 20.245 -8.054 1.00 40.02 H new ATOM 0 HG2 GLU A 158 4.642 22.073 -9.336 1.00 51.04 H new ATOM 0 HG3 GLU A 158 4.860 20.912 -10.631 1.00 51.04 H new