USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 851 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 48 GLN :FLIP amide:sc= -2.04! C(o=-4.5!,f=-1.1!) USER MOD Set 1.2: A 68 SER OG : rot 168:sc= 0.892 USER MOD Set 2.1: A 59 LYS NZ :NH3+ 146:sc= 0.715 (180deg=-0.632) USER MOD Set 2.2: A 62 ASN : amide:sc= 0.423 K(o=1.1,f=-5.2!) USER MOD Set 3.1: A 5 HIS :FLIP no HE2:sc= -0.416 F(o=-1.8,f=-0.51) USER MOD Set 3.2: A 7 HIS : no HD1:sc= -0.09 K(o=-0.51,f=-2) USER MOD Single : A 1 ARG N :NH3+ -161:sc= -0.0594 (180deg=-0.514) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0852 X(o=-0.085,f=-0.42) USER MOD Single : A 8 HIS : no HD1:sc= -0.885 K(o=-0.88,f=-2.8!) USER MOD Single : A 9 HIS : no HD1:sc= -2.35! C(o=-2.3!,f=-4.7!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0202 K(o=-0.02,f=-1.7!) USER MOD Single : A 16 THR OG1 : rot 130:sc= -1.9! USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 20 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.31) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -72:sc= -2.78! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 130:sc= -3.48! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.274 USER MOD Single : A 49 HIS : no HD1:sc= -1.89 X(o=-1.9,f=-2.2) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0522 X(o=-0.052,f=-0.35) USER MOD Single : A 81 MET CE :methyl -132:sc= -1.23 (180deg=-3.08!) USER MOD Single : A 82 SER OG : rot 118:sc= -3.05! USER MOD Single : A 83 LYS NZ :NH3+ -156:sc= -0.0887 (180deg=-0.701) USER MOD Single : A 86 MET CE :methyl 144:sc= -0.546 (180deg=-2.61!) USER MOD Single : A 88 ASN : amide:sc= -2.08! C(o=-2.1!,f=-5.5!) USER MOD Single : A 96 THR OG1 : rot -152:sc= -4.72! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 165:sc= -0.0667 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -28.998 15.107 -19.499 1.00 0.00 N ATOM 2 CA ARG A 1 -28.049 14.945 -18.362 1.00 0.00 C ATOM 3 C ARG A 1 -27.085 13.794 -18.660 1.00 0.00 C ATOM 4 O ARG A 1 -27.486 12.737 -19.105 1.00 0.00 O ATOM 5 CB ARG A 1 -28.832 14.636 -17.084 1.00 0.00 C ATOM 6 CG ARG A 1 -29.735 15.822 -16.740 1.00 0.00 C ATOM 7 CD ARG A 1 -30.480 15.534 -15.435 1.00 0.00 C ATOM 8 NE ARG A 1 -31.087 14.174 -15.500 1.00 0.00 N ATOM 9 CZ ARG A 1 -31.289 13.497 -14.402 1.00 0.00 C ATOM 10 NH1 ARG A 1 -30.276 13.005 -13.743 1.00 0.00 N ATOM 11 NH2 ARG A 1 -32.504 13.313 -13.964 1.00 0.00 N ATOM 0 H1 ARG A 1 -29.427 16.053 -19.461 1.00 0.00 H new ATOM 0 H2 ARG A 1 -28.486 14.995 -20.397 1.00 0.00 H new ATOM 0 H3 ARG A 1 -29.744 14.385 -19.434 1.00 0.00 H new ATOM 0 HA ARG A 1 -27.483 15.867 -18.228 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -29.432 13.736 -17.221 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -28.144 14.439 -16.262 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -29.139 16.729 -16.639 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -30.447 15.997 -17.547 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -29.794 15.598 -14.590 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -31.255 16.283 -15.273 1.00 0.00 H new ATOM 0 HE ARG A 1 -31.344 13.773 -16.402 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -29.326 13.149 -14.086 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -30.434 12.476 -12.885 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -33.296 13.698 -14.479 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -32.662 12.784 -13.106 1.00 0.00 H new ATOM 27 N GLY A 2 -25.818 13.991 -18.419 1.00 0.00 N ATOM 28 CA GLY A 2 -24.832 12.908 -18.689 1.00 0.00 C ATOM 29 C GLY A 2 -25.234 11.648 -17.920 1.00 0.00 C ATOM 30 O GLY A 2 -25.623 11.708 -16.771 1.00 0.00 O ATOM 0 H GLY A 2 -25.423 14.855 -18.047 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -24.791 12.697 -19.758 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -23.834 13.227 -18.389 1.00 0.00 H new ATOM 34 N SER A 3 -25.145 10.505 -18.545 1.00 0.00 N ATOM 35 CA SER A 3 -25.522 9.244 -17.850 1.00 0.00 C ATOM 36 C SER A 3 -24.789 9.162 -16.509 1.00 0.00 C ATOM 37 O SER A 3 -25.289 8.608 -15.551 1.00 0.00 O ATOM 38 CB SER A 3 -25.132 8.046 -18.717 1.00 0.00 C ATOM 39 OG SER A 3 -25.811 8.122 -19.962 1.00 0.00 O ATOM 0 H SER A 3 -24.827 10.392 -19.508 1.00 0.00 H new ATOM 0 HA SER A 3 -26.598 9.233 -17.678 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.054 8.036 -18.878 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.387 7.117 -18.208 1.00 0.00 H new ATOM 0 HG SER A 3 -25.560 7.355 -20.519 1.00 0.00 H new ATOM 45 N HIS A 4 -23.607 9.709 -16.436 1.00 0.00 N ATOM 46 CA HIS A 4 -22.843 9.663 -15.157 1.00 0.00 C ATOM 47 C HIS A 4 -22.525 11.088 -14.701 1.00 0.00 C ATOM 48 O HIS A 4 -22.184 11.943 -15.494 1.00 0.00 O ATOM 49 CB HIS A 4 -21.540 8.891 -15.369 1.00 0.00 C ATOM 50 CG HIS A 4 -21.846 7.546 -15.966 1.00 0.00 C ATOM 51 ND1 HIS A 4 -22.188 6.452 -15.186 1.00 0.00 N ATOM 52 CD2 HIS A 4 -21.866 7.101 -17.265 1.00 0.00 C ATOM 53 CE1 HIS A 4 -22.398 5.413 -16.014 1.00 0.00 C ATOM 54 NE2 HIS A 4 -22.215 5.754 -17.293 1.00 0.00 N ATOM 0 H HIS A 4 -23.137 10.186 -17.206 1.00 0.00 H new ATOM 0 HA HIS A 4 -23.440 9.163 -14.394 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -20.876 9.451 -16.028 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -21.018 8.769 -14.420 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -21.645 7.704 -18.133 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -22.680 4.424 -15.685 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -22.311 5.156 -18.114 1.00 0.00 H new ATOM 62 N HIS A 5 -22.634 11.351 -13.428 1.00 0.00 N ATOM 63 CA HIS A 5 -22.337 12.720 -12.922 1.00 0.00 C ATOM 64 C HIS A 5 -20.860 12.809 -12.532 1.00 0.00 C ATOM 65 O HIS A 5 -20.489 13.534 -11.630 1.00 0.00 O ATOM 66 CB HIS A 5 -23.206 13.012 -11.698 1.00 0.00 C ATOM 67 CG HIS A 5 -22.874 12.036 -10.603 1.00 0.00 C ATOM 68 ND1 HIS A 5 -21.804 11.947 -9.746 1.00 0.00 N flip ATOM 69 CD2 HIS A 5 -23.705 10.974 -10.281 1.00 0.00 C flip ATOM 70 CE1 HIS A 5 -21.968 10.849 -8.906 1.00 0.00 C flip ATOM 71 NE2 HIS A 5 -23.129 10.299 -9.271 1.00 0.00 N flip ATOM 0 H HIS A 5 -22.916 10.677 -12.716 1.00 0.00 H new ATOM 0 HA HIS A 5 -22.552 13.450 -13.702 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -23.037 14.032 -11.354 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -24.261 12.935 -11.961 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -21.010 12.588 -9.728 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -24.645 10.733 -10.755 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -21.300 10.514 -8.127 1.00 0.00 H new ATOM 79 N HIS A 6 -20.015 12.080 -13.206 1.00 0.00 N ATOM 80 CA HIS A 6 -18.563 12.124 -12.873 1.00 0.00 C ATOM 81 C HIS A 6 -18.354 11.632 -11.438 1.00 0.00 C ATOM 82 O HIS A 6 -18.028 12.395 -10.551 1.00 0.00 O ATOM 83 CB HIS A 6 -18.055 13.562 -12.997 1.00 0.00 C ATOM 84 CG HIS A 6 -18.395 14.098 -14.361 1.00 0.00 C ATOM 85 ND1 HIS A 6 -18.551 13.271 -15.462 1.00 0.00 N ATOM 86 CD2 HIS A 6 -18.613 15.374 -14.817 1.00 0.00 C ATOM 87 CE1 HIS A 6 -18.849 14.051 -16.517 1.00 0.00 C ATOM 88 NE2 HIS A 6 -18.899 15.343 -16.178 1.00 0.00 N ATOM 0 H HIS A 6 -20.266 11.456 -13.973 1.00 0.00 H new ATOM 0 HA HIS A 6 -18.012 11.483 -13.562 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -18.507 14.186 -12.226 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -16.977 13.593 -12.841 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -18.569 16.267 -14.211 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -19.026 13.679 -17.515 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -19.103 16.136 -16.786 1.00 0.00 H new ATOM 96 N HIS A 7 -18.539 10.360 -11.205 1.00 0.00 N ATOM 97 CA HIS A 7 -18.351 9.822 -9.828 1.00 0.00 C ATOM 98 C HIS A 7 -16.953 10.183 -9.325 1.00 0.00 C ATOM 99 O HIS A 7 -16.794 10.793 -8.286 1.00 0.00 O ATOM 100 CB HIS A 7 -18.509 8.300 -9.849 1.00 0.00 C ATOM 101 CG HIS A 7 -18.710 7.797 -8.446 1.00 0.00 C ATOM 102 ND1 HIS A 7 -19.636 8.364 -7.585 1.00 0.00 N ATOM 103 CD2 HIS A 7 -18.112 6.784 -7.739 1.00 0.00 C ATOM 104 CE1 HIS A 7 -19.570 7.693 -6.419 1.00 0.00 C ATOM 105 NE2 HIS A 7 -18.656 6.719 -6.461 1.00 0.00 N ATOM 0 H HIS A 7 -18.812 9.672 -11.907 1.00 0.00 H new ATOM 0 HA HIS A 7 -19.098 10.256 -9.164 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -19.359 8.021 -10.472 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.625 7.838 -10.289 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -17.336 6.135 -8.118 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -20.181 7.915 -5.556 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -18.410 6.068 -5.716 1.00 0.00 H new ATOM 113 N HIS A 8 -15.935 9.811 -10.053 1.00 0.00 N ATOM 114 CA HIS A 8 -14.548 10.135 -9.616 1.00 0.00 C ATOM 115 C HIS A 8 -13.569 9.806 -10.745 1.00 0.00 C ATOM 116 O HIS A 8 -12.469 9.342 -10.511 1.00 0.00 O ATOM 117 CB HIS A 8 -14.198 9.306 -8.377 1.00 0.00 C ATOM 118 CG HIS A 8 -14.013 7.866 -8.771 1.00 0.00 C ATOM 119 ND1 HIS A 8 -14.851 7.232 -9.675 1.00 0.00 N ATOM 120 CD2 HIS A 8 -13.089 6.923 -8.392 1.00 0.00 C ATOM 121 CE1 HIS A 8 -14.420 5.965 -9.808 1.00 0.00 C ATOM 122 NE2 HIS A 8 -13.348 5.723 -9.048 1.00 0.00 N ATOM 0 H HIS A 8 -16.004 9.297 -10.931 1.00 0.00 H new ATOM 0 HA HIS A 8 -14.480 11.196 -9.374 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.287 9.688 -7.917 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -14.991 9.392 -7.634 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -12.284 7.088 -7.691 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -14.884 5.232 -10.451 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -12.831 4.848 -8.966 1.00 0.00 H new ATOM 130 N HIS A 9 -13.957 10.042 -11.968 1.00 0.00 N ATOM 131 CA HIS A 9 -13.048 9.743 -13.109 1.00 0.00 C ATOM 132 C HIS A 9 -11.669 10.346 -12.834 1.00 0.00 C ATOM 133 O HIS A 9 -10.651 9.746 -13.118 1.00 0.00 O ATOM 134 CB HIS A 9 -13.624 10.347 -14.391 1.00 0.00 C ATOM 135 CG HIS A 9 -14.976 9.747 -14.664 1.00 0.00 C ATOM 136 ND1 HIS A 9 -16.125 10.197 -14.034 1.00 0.00 N ATOM 137 CD2 HIS A 9 -15.377 8.732 -15.497 1.00 0.00 C ATOM 138 CE1 HIS A 9 -17.155 9.460 -14.492 1.00 0.00 C ATOM 139 NE2 HIS A 9 -16.753 8.553 -15.387 1.00 0.00 N ATOM 0 H HIS A 9 -14.865 10.429 -12.226 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.955 8.663 -13.227 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.708 11.429 -14.290 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.954 10.156 -15.229 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -14.724 8.160 -16.140 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -18.180 9.587 -14.175 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.331 7.875 -15.883 1.00 0.00 H new ATOM 147 N GLY A 10 -11.627 11.528 -12.282 1.00 0.00 N ATOM 148 CA GLY A 10 -10.314 12.168 -11.989 1.00 0.00 C ATOM 149 C GLY A 10 -9.903 11.852 -10.549 1.00 0.00 C ATOM 150 O GLY A 10 -10.701 11.402 -9.750 1.00 0.00 O ATOM 0 H GLY A 10 -12.446 12.078 -12.021 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.557 11.804 -12.683 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.383 13.247 -12.130 1.00 0.00 H new ATOM 154 N SER A 11 -8.664 12.083 -10.211 1.00 0.00 N ATOM 155 CA SER A 11 -8.205 11.794 -8.824 1.00 0.00 C ATOM 156 C SER A 11 -7.711 13.087 -8.170 1.00 0.00 C ATOM 157 O SER A 11 -6.975 13.852 -8.761 1.00 0.00 O ATOM 158 CB SER A 11 -7.064 10.776 -8.865 1.00 0.00 C ATOM 159 OG SER A 11 -7.433 9.686 -9.697 1.00 0.00 O ATOM 0 H SER A 11 -7.950 12.459 -10.835 1.00 0.00 H new ATOM 0 HA SER A 11 -9.034 11.387 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.156 11.246 -9.244 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.843 10.421 -7.859 1.00 0.00 H new ATOM 0 HG SER A 11 -6.702 9.034 -9.725 1.00 0.00 H new ATOM 165 N ALA A 12 -8.110 13.336 -6.953 1.00 0.00 N ATOM 166 CA ALA A 12 -7.664 14.578 -6.261 1.00 0.00 C ATOM 167 C ALA A 12 -8.114 15.800 -7.064 1.00 0.00 C ATOM 168 O ALA A 12 -9.147 15.788 -7.704 1.00 0.00 O ATOM 169 CB ALA A 12 -6.138 14.577 -6.145 1.00 0.00 C ATOM 0 H ALA A 12 -8.726 12.733 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.104 14.617 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.811 15.485 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.817 13.707 -5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.697 14.538 -7.141 1.00 0.00 H new ATOM 175 N VAL A 13 -7.348 16.856 -7.037 1.00 0.00 N ATOM 176 CA VAL A 13 -7.735 18.077 -7.800 1.00 0.00 C ATOM 177 C VAL A 13 -6.573 18.503 -8.699 1.00 0.00 C ATOM 178 O VAL A 13 -5.426 18.478 -8.297 1.00 0.00 O ATOM 179 CB VAL A 13 -8.059 19.206 -6.818 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.690 20.375 -7.577 1.00 0.00 C ATOM 181 CG2 VAL A 13 -9.039 18.696 -5.760 1.00 0.00 C ATOM 0 H VAL A 13 -6.471 16.926 -6.520 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.611 17.863 -8.413 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.142 19.540 -6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.921 21.180 -6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.992 20.738 -8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.607 20.041 -8.062 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.270 19.499 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.956 18.362 -6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.590 17.863 -5.220 1.00 0.00 H new ATOM 191 N GLN A 14 -6.853 18.897 -9.911 1.00 0.00 N ATOM 192 CA GLN A 14 -5.752 19.323 -10.822 1.00 0.00 C ATOM 193 C GLN A 14 -5.835 20.835 -11.046 1.00 0.00 C ATOM 194 O GLN A 14 -6.827 21.348 -11.522 1.00 0.00 O ATOM 195 CB GLN A 14 -5.882 18.597 -12.161 1.00 0.00 C ATOM 196 CG GLN A 14 -5.553 17.115 -11.973 1.00 0.00 C ATOM 197 CD GLN A 14 -5.917 16.345 -13.244 1.00 0.00 C ATOM 198 OE1 GLN A 14 -6.505 16.895 -14.154 1.00 0.00 O ATOM 199 NE2 GLN A 14 -5.589 15.086 -13.345 1.00 0.00 N ATOM 0 H GLN A 14 -7.791 18.943 -10.309 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.791 19.074 -10.372 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.894 18.709 -12.551 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.207 19.040 -12.894 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.493 16.992 -11.752 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.104 16.714 -11.122 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.095 14.625 -12.581 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.826 14.563 -14.188 1.00 0.00 H new ATOM 208 N VAL A 15 -4.799 21.551 -10.701 1.00 0.00 N ATOM 209 CA VAL A 15 -4.821 23.029 -10.889 1.00 0.00 C ATOM 210 C VAL A 15 -3.574 23.468 -11.663 1.00 0.00 C ATOM 211 O VAL A 15 -2.482 22.995 -11.421 1.00 0.00 O ATOM 212 CB VAL A 15 -4.836 23.712 -9.522 1.00 0.00 C ATOM 213 CG1 VAL A 15 -5.281 25.167 -9.679 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.808 22.979 -8.595 1.00 0.00 C ATOM 0 H VAL A 15 -3.940 21.177 -10.298 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.712 23.310 -11.450 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.834 23.684 -9.094 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.291 25.652 -8.703 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.588 25.691 -10.337 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.282 25.197 -10.109 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.818 23.466 -7.620 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.810 23.005 -9.024 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.489 21.943 -8.479 1.00 0.00 H new ATOM 224 N THR A 16 -3.730 24.371 -12.593 1.00 0.00 N ATOM 225 CA THR A 16 -2.557 24.844 -13.383 1.00 0.00 C ATOM 226 C THR A 16 -2.684 26.349 -13.631 1.00 0.00 C ATOM 227 O THR A 16 -3.769 26.871 -13.790 1.00 0.00 O ATOM 228 CB THR A 16 -2.515 24.109 -14.725 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.607 24.531 -15.528 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.607 22.600 -14.486 1.00 0.00 C ATOM 0 H THR A 16 -4.621 24.802 -12.840 1.00 0.00 H new ATOM 0 HA THR A 16 -1.640 24.642 -12.829 1.00 0.00 H new ATOM 0 HB THR A 16 -1.579 24.337 -15.235 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.281 24.783 -16.417 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.577 22.078 -15.442 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.768 22.277 -13.870 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.542 22.369 -13.975 1.00 0.00 H new ATOM 238 N PHE A 17 -1.584 27.052 -13.661 1.00 0.00 N ATOM 239 CA PHE A 17 -1.646 28.524 -13.895 1.00 0.00 C ATOM 240 C PHE A 17 -0.894 28.876 -15.179 1.00 0.00 C ATOM 241 O PHE A 17 0.122 28.292 -15.493 1.00 0.00 O ATOM 242 CB PHE A 17 -0.989 29.257 -12.725 1.00 0.00 C ATOM 243 CG PHE A 17 -1.718 28.934 -11.446 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.638 27.649 -10.897 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.471 29.923 -10.805 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.311 27.353 -9.706 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.145 29.629 -9.615 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.064 28.343 -9.064 1.00 0.00 C ATOM 0 H PHE A 17 -0.646 26.672 -13.534 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.690 28.824 -13.984 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.058 28.964 -12.642 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.006 30.332 -12.902 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.057 26.886 -11.393 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.532 30.914 -11.229 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.249 26.361 -9.283 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.727 30.393 -9.121 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.582 28.116 -8.144 1.00 0.00 H new ATOM 258 N THR A 18 -1.376 29.836 -15.916 1.00 0.00 N ATOM 259 CA THR A 18 -0.674 30.231 -17.170 1.00 0.00 C ATOM 260 C THR A 18 -0.692 31.757 -17.296 1.00 0.00 C ATOM 261 O THR A 18 -1.727 32.384 -17.204 1.00 0.00 O ATOM 262 CB THR A 18 -1.376 29.604 -18.376 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.562 28.214 -18.143 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.521 29.802 -19.628 1.00 0.00 C ATOM 0 H THR A 18 -2.223 30.364 -15.706 1.00 0.00 H new ATOM 0 HA THR A 18 0.357 29.879 -17.138 1.00 0.00 H new ATOM 0 HB THR A 18 -2.344 30.083 -18.522 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.013 27.811 -18.914 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.023 29.355 -20.486 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.378 30.868 -19.806 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.449 29.325 -19.486 1.00 0.00 H new ATOM 272 N VAL A 19 0.449 32.359 -17.505 1.00 0.00 N ATOM 273 CA VAL A 19 0.492 33.843 -17.634 1.00 0.00 C ATOM 274 C VAL A 19 -0.026 34.249 -19.013 1.00 0.00 C ATOM 275 O VAL A 19 0.388 33.713 -20.023 1.00 0.00 O ATOM 276 CB VAL A 19 1.935 34.329 -17.474 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.948 35.856 -17.360 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.541 33.717 -16.210 1.00 0.00 C ATOM 0 H VAL A 19 1.350 31.888 -17.592 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.132 34.291 -16.861 1.00 0.00 H new ATOM 0 HB VAL A 19 2.521 34.024 -18.341 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.975 36.204 -17.246 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.515 36.292 -18.261 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.363 36.161 -16.492 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.568 34.062 -16.095 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.957 34.022 -15.342 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.531 32.630 -16.291 1.00 0.00 H new ATOM 288 N GLN A 20 -0.931 35.188 -19.071 1.00 0.00 N ATOM 289 CA GLN A 20 -1.470 35.617 -20.391 1.00 0.00 C ATOM 290 C GLN A 20 -0.944 37.013 -20.734 1.00 0.00 C ATOM 291 O GLN A 20 -0.636 37.805 -19.864 1.00 0.00 O ATOM 292 CB GLN A 20 -2.998 35.649 -20.331 1.00 0.00 C ATOM 293 CG GLN A 20 -3.519 34.288 -19.866 1.00 0.00 C ATOM 294 CD GLN A 20 -3.100 33.211 -20.869 1.00 0.00 C ATOM 295 OE1 GLN A 20 -3.302 33.360 -22.058 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.520 32.124 -20.438 1.00 0.00 N ATOM 0 H GLN A 20 -1.319 35.675 -18.263 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.149 34.912 -21.158 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.329 36.430 -19.647 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.406 35.891 -21.312 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.123 34.053 -18.878 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.605 34.314 -19.776 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.350 31.998 -19.440 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.237 31.401 -21.099 1.00 0.00 H new ATOM 305 N LYS A 21 -0.843 37.318 -21.997 1.00 0.00 N ATOM 306 CA LYS A 21 -0.343 38.660 -22.413 1.00 0.00 C ATOM 307 C LYS A 21 -1.018 39.751 -21.579 1.00 0.00 C ATOM 308 O LYS A 21 -2.212 39.960 -21.674 1.00 0.00 O ATOM 309 CB LYS A 21 -0.686 38.880 -23.887 1.00 0.00 C ATOM 310 CG LYS A 21 0.153 37.938 -24.754 1.00 0.00 C ATOM 311 CD LYS A 21 -0.011 38.320 -26.226 1.00 0.00 C ATOM 312 CE LYS A 21 0.571 37.213 -27.108 1.00 0.00 C ATOM 313 NZ LYS A 21 -0.453 36.783 -28.103 1.00 0.00 N ATOM 0 H LYS A 21 -1.087 36.692 -22.765 1.00 0.00 H new ATOM 0 HA LYS A 21 0.736 38.706 -22.262 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.747 38.697 -24.055 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.493 39.916 -24.165 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.202 37.999 -24.466 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.161 36.906 -24.598 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.065 38.469 -26.459 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.496 39.264 -26.427 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.463 37.572 -27.620 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.876 36.366 -26.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.059 36.031 -28.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.292 36.424 -27.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.723 37.594 -28.696 1.00 0.00 H new ATOM 327 N GLY A 22 -0.275 40.464 -20.773 1.00 0.00 N ATOM 328 CA GLY A 22 -0.908 41.546 -19.964 1.00 0.00 C ATOM 329 C GLY A 22 -0.284 41.618 -18.568 1.00 0.00 C ATOM 330 O GLY A 22 -0.632 42.471 -17.774 1.00 0.00 O ATOM 0 H GLY A 22 0.730 40.346 -20.641 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.787 42.503 -20.471 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.979 41.363 -19.879 1.00 0.00 H new ATOM 334 N SER A 23 0.628 40.741 -18.247 1.00 0.00 N ATOM 335 CA SER A 23 1.244 40.794 -16.889 1.00 0.00 C ATOM 336 C SER A 23 2.009 42.111 -16.732 1.00 0.00 C ATOM 337 O SER A 23 2.645 42.583 -17.654 1.00 0.00 O ATOM 338 CB SER A 23 2.201 39.613 -16.709 1.00 0.00 C ATOM 339 OG SER A 23 1.502 38.399 -16.936 1.00 0.00 O ATOM 0 H SER A 23 0.970 39.999 -18.857 1.00 0.00 H new ATOM 0 HA SER A 23 0.462 40.736 -16.132 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.037 39.699 -17.403 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.620 39.621 -15.703 1.00 0.00 H new ATOM 0 HG SER A 23 0.894 38.226 -16.187 1.00 0.00 H new ATOM 345 N ASP A 24 1.949 42.714 -15.574 1.00 0.00 N ATOM 346 CA ASP A 24 2.669 44.004 -15.365 1.00 0.00 C ATOM 347 C ASP A 24 3.392 43.976 -14.014 1.00 0.00 C ATOM 348 O ASP A 24 3.267 43.037 -13.254 1.00 0.00 O ATOM 349 CB ASP A 24 1.666 45.163 -15.381 1.00 0.00 C ATOM 350 CG ASP A 24 0.352 44.701 -16.016 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.272 43.812 -15.462 1.00 0.00 O ATOM 352 OD2 ASP A 24 -0.007 45.246 -17.047 1.00 0.00 O ATOM 0 H ASP A 24 1.433 42.369 -14.765 1.00 0.00 H new ATOM 0 HA ASP A 24 3.397 44.143 -16.165 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.486 45.515 -14.365 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.076 46.003 -15.941 1.00 0.00 H new ATOM 357 N PRO A 25 4.167 45.033 -13.716 1.00 0.00 N ATOM 358 CA PRO A 25 4.916 45.134 -12.457 1.00 0.00 C ATOM 359 C PRO A 25 3.991 45.383 -11.262 1.00 0.00 C ATOM 360 O PRO A 25 4.263 44.966 -10.154 1.00 0.00 O ATOM 361 CB PRO A 25 5.822 46.343 -12.676 1.00 0.00 C ATOM 362 CG PRO A 25 5.114 47.168 -13.697 1.00 0.00 C ATOM 363 CD PRO A 25 4.372 46.207 -14.583 1.00 0.00 C ATOM 0 HA PRO A 25 5.456 44.215 -12.228 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.970 46.900 -11.751 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.809 46.040 -13.027 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.426 47.867 -13.222 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.822 47.761 -14.275 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.425 46.625 -14.925 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.948 45.954 -15.473 1.00 0.00 H new ATOM 371 N LYS A 26 2.895 46.058 -11.482 1.00 0.00 N ATOM 372 CA LYS A 26 1.946 46.331 -10.365 1.00 0.00 C ATOM 373 C LYS A 26 0.608 45.655 -10.670 1.00 0.00 C ATOM 374 O LYS A 26 -0.356 45.799 -9.945 1.00 0.00 O ATOM 375 CB LYS A 26 1.739 47.841 -10.224 1.00 0.00 C ATOM 376 CG LYS A 26 3.063 48.501 -9.832 1.00 0.00 C ATOM 377 CD LYS A 26 2.836 49.996 -9.596 1.00 0.00 C ATOM 378 CE LYS A 26 4.174 50.672 -9.290 1.00 0.00 C ATOM 379 NZ LYS A 26 4.598 51.488 -10.461 1.00 0.00 N ATOM 0 H LYS A 26 2.616 46.433 -12.389 1.00 0.00 H new ATOM 0 HA LYS A 26 2.352 45.938 -9.433 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.376 48.259 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.980 48.046 -9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.461 48.036 -8.930 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.802 48.354 -10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.380 50.449 -10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.144 50.143 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.080 51.305 -8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.930 49.920 -9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.507 51.947 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.703 50.873 -11.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.880 52.214 -10.656 1.00 0.00 H new ATOM 393 N LYS A 27 0.552 44.913 -11.740 1.00 0.00 N ATOM 394 CA LYS A 27 -0.707 44.211 -12.112 1.00 0.00 C ATOM 395 C LYS A 27 -0.345 42.841 -12.681 1.00 0.00 C ATOM 396 O LYS A 27 0.548 42.718 -13.495 1.00 0.00 O ATOM 397 CB LYS A 27 -1.455 45.027 -13.169 1.00 0.00 C ATOM 398 CG LYS A 27 -1.995 46.310 -12.532 1.00 0.00 C ATOM 399 CD LYS A 27 -2.798 47.097 -13.569 1.00 0.00 C ATOM 400 CE LYS A 27 -2.908 48.558 -13.124 1.00 0.00 C ATOM 401 NZ LYS A 27 -1.700 49.306 -13.572 1.00 0.00 N ATOM 0 H LYS A 27 1.333 44.762 -12.379 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.346 44.095 -11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.788 45.271 -13.995 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.275 44.441 -13.584 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.626 46.066 -11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.171 46.917 -12.158 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.312 47.037 -14.543 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.792 46.664 -13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.806 49.011 -13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.001 48.613 -12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.774 50.298 -13.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.851 48.878 -13.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.630 49.264 -14.609 1.00 0.00 H new ATOM 415 N LEU A 28 -1.013 41.804 -12.256 1.00 0.00 N ATOM 416 CA LEU A 28 -0.670 40.455 -12.781 1.00 0.00 C ATOM 417 C LEU A 28 -1.920 39.762 -13.323 1.00 0.00 C ATOM 418 O LEU A 28 -2.951 39.709 -12.683 1.00 0.00 O ATOM 419 CB LEU A 28 -0.064 39.608 -11.659 1.00 0.00 C ATOM 420 CG LEU A 28 1.244 38.979 -12.144 1.00 0.00 C ATOM 421 CD1 LEU A 28 2.187 38.785 -10.954 1.00 0.00 C ATOM 422 CD2 LEU A 28 0.950 37.624 -12.789 1.00 0.00 C ATOM 0 H LEU A 28 -1.773 41.832 -11.576 1.00 0.00 H new ATOM 0 HA LEU A 28 0.052 40.565 -13.590 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.121 40.227 -10.781 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.765 38.829 -11.358 1.00 0.00 H new ATOM 0 HG LEU A 28 1.714 39.635 -12.877 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.119 38.337 -11.298 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.396 39.751 -10.494 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.718 38.129 -10.221 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.882 37.176 -13.135 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.481 36.967 -12.057 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.278 37.762 -13.636 1.00 0.00 H new ATOM 434 N VAL A 29 -1.816 39.212 -14.502 1.00 0.00 N ATOM 435 CA VAL A 29 -2.968 38.494 -15.111 1.00 0.00 C ATOM 436 C VAL A 29 -2.533 37.059 -15.402 1.00 0.00 C ATOM 437 O VAL A 29 -1.538 36.829 -16.059 1.00 0.00 O ATOM 438 CB VAL A 29 -3.372 39.182 -16.416 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.734 38.655 -16.870 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.460 40.694 -16.190 1.00 0.00 C ATOM 0 H VAL A 29 -0.972 39.231 -15.074 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.820 38.502 -14.431 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.627 38.972 -17.183 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.022 39.145 -17.800 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.672 37.579 -17.031 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.479 38.865 -16.103 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.748 41.185 -17.120 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.205 40.904 -15.423 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.490 41.071 -15.866 1.00 0.00 H new ATOM 450 N LEU A 30 -3.251 36.089 -14.912 1.00 0.00 N ATOM 451 CA LEU A 30 -2.843 34.680 -15.165 1.00 0.00 C ATOM 452 C LEU A 30 -4.076 33.809 -15.397 1.00 0.00 C ATOM 453 O LEU A 30 -5.087 33.955 -14.739 1.00 0.00 O ATOM 454 CB LEU A 30 -2.084 34.139 -13.949 1.00 0.00 C ATOM 455 CG LEU A 30 -0.877 35.028 -13.644 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.841 35.335 -12.145 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.406 34.299 -14.046 1.00 0.00 C ATOM 0 H LEU A 30 -4.095 36.208 -14.352 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.205 34.655 -16.049 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.746 34.102 -13.084 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.754 33.118 -14.141 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.957 35.959 -14.206 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.018 35.968 -11.924 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.757 35.852 -11.857 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.759 34.404 -11.585 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.267 34.931 -13.829 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.488 33.369 -13.483 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.379 34.076 -15.113 1.00 0.00 H new ATOM 469 N ASP A 31 -3.987 32.882 -16.309 1.00 0.00 N ATOM 470 CA ASP A 31 -5.139 31.977 -16.559 1.00 0.00 C ATOM 471 C ASP A 31 -5.034 30.811 -15.579 1.00 0.00 C ATOM 472 O ASP A 31 -3.962 30.290 -15.341 1.00 0.00 O ATOM 473 CB ASP A 31 -5.085 31.452 -17.996 1.00 0.00 C ATOM 474 CG ASP A 31 -6.357 30.657 -18.296 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.191 30.556 -17.411 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.475 30.162 -19.405 1.00 0.00 O ATOM 0 H ASP A 31 -3.166 32.713 -16.891 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.080 32.510 -16.421 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.989 32.283 -18.695 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.208 30.819 -18.131 1.00 0.00 H new ATOM 481 N ILE A 32 -6.120 30.401 -14.992 1.00 0.00 N ATOM 482 CA ILE A 32 -6.037 29.279 -14.020 1.00 0.00 C ATOM 483 C ILE A 32 -6.955 28.137 -14.445 1.00 0.00 C ATOM 484 O ILE A 32 -8.118 28.332 -14.736 1.00 0.00 O ATOM 485 CB ILE A 32 -6.452 29.767 -12.634 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.398 30.734 -12.096 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.580 28.566 -11.694 1.00 0.00 C ATOM 488 CD1 ILE A 32 -5.913 31.391 -10.813 1.00 0.00 C ATOM 0 H ILE A 32 -7.052 30.788 -15.140 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.009 28.919 -13.993 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.411 30.282 -12.698 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.469 30.201 -11.896 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.174 31.496 -12.842 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.876 28.910 -10.703 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.334 27.880 -12.081 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.621 28.052 -11.628 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.161 32.080 -10.430 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.831 31.938 -11.028 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.115 30.623 -10.066 1.00 0.00 H new ATOM 500 N LYS A 33 -6.443 26.939 -14.452 1.00 0.00 N ATOM 501 CA LYS A 33 -7.287 25.772 -14.824 1.00 0.00 C ATOM 502 C LYS A 33 -7.527 24.938 -13.567 1.00 0.00 C ATOM 503 O LYS A 33 -6.604 24.448 -12.945 1.00 0.00 O ATOM 504 CB LYS A 33 -6.583 24.928 -15.888 1.00 0.00 C ATOM 505 CG LYS A 33 -6.186 25.819 -17.067 1.00 0.00 C ATOM 506 CD LYS A 33 -5.659 24.948 -18.209 1.00 0.00 C ATOM 507 CE LYS A 33 -5.123 25.844 -19.328 1.00 0.00 C ATOM 508 NZ LYS A 33 -3.801 25.331 -19.785 1.00 0.00 N ATOM 0 H LYS A 33 -5.476 26.718 -14.216 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.237 26.114 -15.236 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.699 24.453 -15.464 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.242 24.129 -16.228 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.045 26.399 -17.404 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.422 26.532 -16.757 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.869 24.291 -17.845 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.455 24.309 -18.590 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.825 25.863 -20.161 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.024 26.869 -18.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.436 25.940 -20.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.133 25.335 -18.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.910 24.360 -20.141 1.00 0.00 H new ATOM 522 N TYR A 34 -8.762 24.788 -13.183 1.00 0.00 N ATOM 523 CA TYR A 34 -9.076 24.004 -11.959 1.00 0.00 C ATOM 524 C TYR A 34 -10.034 22.866 -12.314 1.00 0.00 C ATOM 525 O TYR A 34 -11.184 23.088 -12.636 1.00 0.00 O ATOM 526 CB TYR A 34 -9.729 24.931 -10.934 1.00 0.00 C ATOM 527 CG TYR A 34 -9.938 24.188 -9.636 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.903 24.114 -8.698 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.169 23.576 -9.371 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.096 23.428 -7.495 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.363 22.890 -8.165 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.326 22.815 -7.228 1.00 0.00 C ATOM 533 OH TYR A 34 -10.516 22.140 -6.040 1.00 0.00 O ATOM 0 H TYR A 34 -9.571 25.177 -13.667 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.162 23.581 -11.542 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.099 25.805 -10.767 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.684 25.294 -11.314 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.954 24.587 -8.903 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.968 23.633 -10.095 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.296 23.371 -6.772 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.313 22.419 -7.958 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.347 22.445 -5.620 1.00 0.00 H new ATOM 543 N THR A 35 -9.568 21.649 -12.262 1.00 0.00 N ATOM 544 CA THR A 35 -10.454 20.499 -12.601 1.00 0.00 C ATOM 545 C THR A 35 -10.703 19.655 -11.351 1.00 0.00 C ATOM 546 O THR A 35 -9.790 19.101 -10.769 1.00 0.00 O ATOM 547 CB THR A 35 -9.785 19.639 -13.676 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.565 20.423 -14.840 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.690 18.454 -14.020 1.00 0.00 C ATOM 0 H THR A 35 -8.614 21.401 -12.000 1.00 0.00 H new ATOM 0 HA THR A 35 -11.406 20.874 -12.977 1.00 0.00 H new ATOM 0 HB THR A 35 -8.830 19.268 -13.302 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.135 19.873 -15.528 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.213 17.842 -14.786 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.857 17.852 -13.127 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.646 18.822 -14.393 1.00 0.00 H new ATOM 557 N ARG A 36 -11.935 19.552 -10.934 1.00 0.00 N ATOM 558 CA ARG A 36 -12.253 18.744 -9.724 1.00 0.00 C ATOM 559 C ARG A 36 -13.403 17.786 -10.044 1.00 0.00 C ATOM 560 O ARG A 36 -14.327 18.131 -10.754 1.00 0.00 O ATOM 561 CB ARG A 36 -12.667 19.675 -8.583 1.00 0.00 C ATOM 562 CG ARG A 36 -12.445 18.973 -7.242 1.00 0.00 C ATOM 563 CD ARG A 36 -12.435 20.009 -6.118 1.00 0.00 C ATOM 564 NE ARG A 36 -13.096 19.440 -4.911 1.00 0.00 N ATOM 565 CZ ARG A 36 -12.628 18.353 -4.361 1.00 0.00 C ATOM 566 NH1 ARG A 36 -11.673 18.429 -3.477 1.00 0.00 N ATOM 567 NH2 ARG A 36 -13.116 17.190 -4.697 1.00 0.00 N ATOM 0 H ARG A 36 -12.738 19.995 -11.381 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.374 18.173 -9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.086 20.597 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.715 19.954 -8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.233 18.240 -7.068 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.501 18.428 -7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.410 20.296 -5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.954 20.913 -6.438 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.915 19.900 -4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.292 19.338 -3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.307 17.579 -3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.863 17.131 -5.389 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.750 16.340 -4.267 1.00 0.00 H new ATOM 581 N PRO A 37 -13.340 16.558 -9.509 1.00 0.00 N ATOM 582 CA PRO A 37 -14.376 15.542 -9.737 1.00 0.00 C ATOM 583 C PRO A 37 -15.695 15.903 -9.048 1.00 0.00 C ATOM 584 O PRO A 37 -15.937 15.534 -7.916 1.00 0.00 O ATOM 585 CB PRO A 37 -13.783 14.282 -9.105 1.00 0.00 C ATOM 586 CG PRO A 37 -12.826 14.791 -8.082 1.00 0.00 C ATOM 587 CD PRO A 37 -12.259 16.065 -8.641 1.00 0.00 C ATOM 0 HA PRO A 37 -14.617 15.434 -10.795 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.557 13.664 -8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.278 13.665 -9.848 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.330 14.972 -7.133 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.037 14.064 -7.890 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.017 16.779 -7.853 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.342 15.886 -9.202 1.00 0.00 H new ATOM 595 N GLY A 38 -16.551 16.621 -9.725 1.00 0.00 N ATOM 596 CA GLY A 38 -17.854 17.003 -9.110 1.00 0.00 C ATOM 597 C GLY A 38 -17.747 18.406 -8.507 1.00 0.00 C ATOM 598 O GLY A 38 -18.704 19.153 -8.477 1.00 0.00 O ATOM 0 H GLY A 38 -16.404 16.959 -10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.643 16.979 -9.862 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.127 16.284 -8.337 1.00 0.00 H new ATOM 602 N ASP A 39 -16.590 18.770 -8.024 1.00 0.00 N ATOM 603 CA ASP A 39 -16.428 20.123 -7.422 1.00 0.00 C ATOM 604 C ASP A 39 -15.879 21.092 -8.471 1.00 0.00 C ATOM 605 O ASP A 39 -15.565 20.710 -9.581 1.00 0.00 O ATOM 606 CB ASP A 39 -15.455 20.044 -6.244 1.00 0.00 C ATOM 607 CG ASP A 39 -16.235 19.783 -4.954 1.00 0.00 C ATOM 608 OD1 ASP A 39 -17.452 19.740 -5.019 1.00 0.00 O ATOM 609 OD2 ASP A 39 -15.601 19.631 -3.923 1.00 0.00 O ATOM 0 H ASP A 39 -15.751 18.189 -8.020 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.397 20.480 -7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.730 19.247 -6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.893 20.974 -6.160 1.00 0.00 H new ATOM 614 N SER A 40 -15.760 22.344 -8.124 1.00 0.00 N ATOM 615 CA SER A 40 -15.231 23.344 -9.096 1.00 0.00 C ATOM 616 C SER A 40 -14.616 24.518 -8.331 1.00 0.00 C ATOM 617 O SER A 40 -14.873 24.707 -7.160 1.00 0.00 O ATOM 618 CB SER A 40 -16.375 23.853 -9.974 1.00 0.00 C ATOM 619 OG SER A 40 -16.973 22.759 -10.654 1.00 0.00 O ATOM 0 H SER A 40 -16.006 22.719 -7.208 1.00 0.00 H new ATOM 0 HA SER A 40 -14.471 22.878 -9.723 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.118 24.364 -9.362 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.999 24.581 -10.693 1.00 0.00 H new ATOM 0 HG SER A 40 -17.707 23.085 -11.215 1.00 0.00 H new ATOM 625 N LEU A 41 -13.808 25.307 -8.982 1.00 0.00 N ATOM 626 CA LEU A 41 -13.181 26.467 -8.288 1.00 0.00 C ATOM 627 C LEU A 41 -14.246 27.535 -8.026 1.00 0.00 C ATOM 628 O LEU A 41 -15.032 27.863 -8.892 1.00 0.00 O ATOM 629 CB LEU A 41 -12.080 27.051 -9.171 1.00 0.00 C ATOM 630 CG LEU A 41 -10.977 27.646 -8.296 1.00 0.00 C ATOM 631 CD1 LEU A 41 -9.989 28.410 -9.179 1.00 0.00 C ATOM 632 CD2 LEU A 41 -11.595 28.601 -7.273 1.00 0.00 C ATOM 0 H LEU A 41 -13.554 25.199 -9.964 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.752 26.140 -7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.667 26.274 -9.815 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.494 27.820 -9.824 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.454 26.846 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.201 28.836 -8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.549 27.728 -9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.512 29.211 -9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.808 29.025 -6.649 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.117 29.404 -7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.301 28.056 -6.646 1.00 0.00 H new ATOM 644 N ALA A 42 -14.284 28.074 -6.838 1.00 0.00 N ATOM 645 CA ALA A 42 -15.305 29.115 -6.528 1.00 0.00 C ATOM 646 C ALA A 42 -14.618 30.451 -6.240 1.00 0.00 C ATOM 647 O ALA A 42 -15.061 31.493 -6.678 1.00 0.00 O ATOM 648 CB ALA A 42 -16.109 28.689 -5.299 1.00 0.00 C ATOM 0 H ALA A 42 -13.654 27.840 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.970 29.228 -7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.856 29.449 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.607 27.740 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.438 28.573 -4.448 1.00 0.00 H new ATOM 654 N GLU A 43 -13.543 30.432 -5.499 1.00 0.00 N ATOM 655 CA GLU A 43 -12.844 31.712 -5.183 1.00 0.00 C ATOM 656 C GLU A 43 -11.328 31.511 -5.227 1.00 0.00 C ATOM 657 O GLU A 43 -10.821 30.443 -4.945 1.00 0.00 O ATOM 658 CB GLU A 43 -13.252 32.181 -3.785 1.00 0.00 C ATOM 659 CG GLU A 43 -14.727 32.588 -3.792 1.00 0.00 C ATOM 660 CD GLU A 43 -15.133 33.058 -2.394 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.296 33.009 -1.508 1.00 0.00 O ATOM 662 OE2 GLU A 43 -16.273 33.460 -2.235 1.00 0.00 O ATOM 0 H GLU A 43 -13.121 29.593 -5.101 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.125 32.462 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.087 31.384 -3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.633 33.024 -3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.892 33.385 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.346 31.745 -4.098 1.00 0.00 H new ATOM 669 N VAL A 44 -10.602 32.536 -5.582 1.00 0.00 N ATOM 670 CA VAL A 44 -9.118 32.423 -5.650 1.00 0.00 C ATOM 671 C VAL A 44 -8.484 33.695 -5.086 1.00 0.00 C ATOM 672 O VAL A 44 -8.911 34.793 -5.384 1.00 0.00 O ATOM 673 CB VAL A 44 -8.693 32.256 -7.110 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.198 31.939 -7.174 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.483 31.111 -7.742 1.00 0.00 C ATOM 0 H VAL A 44 -10.976 33.452 -5.829 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.791 31.562 -5.068 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.892 33.180 -7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.896 31.820 -8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.633 32.755 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.998 31.016 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.181 30.991 -8.782 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.284 30.188 -7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.549 31.336 -7.697 1.00 0.00 H new ATOM 685 N GLU A 45 -7.462 33.568 -4.282 1.00 0.00 N ATOM 686 CA GLU A 45 -6.813 34.788 -3.724 1.00 0.00 C ATOM 687 C GLU A 45 -5.303 34.708 -3.950 1.00 0.00 C ATOM 688 O GLU A 45 -4.732 33.640 -4.040 1.00 0.00 O ATOM 689 CB GLU A 45 -7.110 34.900 -2.228 1.00 0.00 C ATOM 690 CG GLU A 45 -8.624 34.904 -2.007 1.00 0.00 C ATOM 691 CD GLU A 45 -8.922 35.057 -0.514 1.00 0.00 C ATOM 692 OE1 GLU A 45 -8.003 34.897 0.273 1.00 0.00 O ATOM 693 OE2 GLU A 45 -10.063 35.334 -0.182 1.00 0.00 O ATOM 0 H GLU A 45 -7.052 32.681 -3.990 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.209 35.670 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.656 34.066 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.671 35.813 -1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.081 35.721 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.059 33.978 -2.382 1.00 0.00 H new ATOM 700 N LEU A 46 -4.654 35.835 -4.058 1.00 0.00 N ATOM 701 CA LEU A 46 -3.183 35.833 -4.294 1.00 0.00 C ATOM 702 C LEU A 46 -2.474 36.593 -3.172 1.00 0.00 C ATOM 703 O LEU A 46 -2.944 37.611 -2.704 1.00 0.00 O ATOM 704 CB LEU A 46 -2.891 36.525 -5.628 1.00 0.00 C ATOM 705 CG LEU A 46 -1.392 36.455 -5.923 1.00 0.00 C ATOM 706 CD1 LEU A 46 -1.151 36.730 -7.408 1.00 0.00 C ATOM 707 CD2 LEU A 46 -0.657 37.504 -5.086 1.00 0.00 C ATOM 0 H LEU A 46 -5.081 36.759 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.823 34.805 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.453 36.045 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.216 37.565 -5.589 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.019 35.462 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.083 36.680 -7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.674 35.983 -8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.524 37.723 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.411 37.454 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.030 38.497 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.828 37.310 -4.027 1.00 0.00 H new ATOM 719 N ARG A 47 -1.339 36.114 -2.748 1.00 0.00 N ATOM 720 CA ARG A 47 -0.590 36.816 -1.668 1.00 0.00 C ATOM 721 C ARG A 47 0.823 37.130 -2.164 1.00 0.00 C ATOM 722 O ARG A 47 1.516 36.274 -2.677 1.00 0.00 O ATOM 723 CB ARG A 47 -0.515 35.927 -0.426 1.00 0.00 C ATOM 724 CG ARG A 47 0.535 36.483 0.537 1.00 0.00 C ATOM 725 CD ARG A 47 0.345 35.858 1.919 1.00 0.00 C ATOM 726 NE ARG A 47 1.181 34.630 2.030 1.00 0.00 N ATOM 727 CZ ARG A 47 1.765 34.337 3.160 1.00 0.00 C ATOM 728 NH1 ARG A 47 2.958 34.798 3.418 1.00 0.00 N ATOM 729 NH2 ARG A 47 1.155 33.581 4.031 1.00 0.00 N ATOM 0 H ARG A 47 -0.897 35.266 -3.102 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.104 37.742 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.488 35.886 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.258 34.907 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.536 36.267 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.446 37.567 0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.624 36.572 2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.705 35.611 2.077 1.00 0.00 H new ATOM 0 HE ARG A 47 1.297 34.018 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.435 35.388 2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.413 34.568 4.301 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.223 33.220 3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.610 33.351 4.914 1.00 0.00 H new ATOM 743 N GLN A 48 1.250 38.355 -2.023 1.00 0.00 N ATOM 744 CA GLN A 48 2.613 38.730 -2.494 1.00 0.00 C ATOM 745 C GLN A 48 3.669 38.097 -1.587 1.00 0.00 C ATOM 746 O GLN A 48 3.444 37.876 -0.413 1.00 0.00 O ATOM 747 CB GLN A 48 2.761 40.252 -2.462 1.00 0.00 C ATOM 748 CG GLN A 48 1.689 40.888 -3.350 1.00 0.00 C ATOM 749 CD GLN A 48 2.148 42.279 -3.788 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.504 42.896 -4.741 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 3.102 42.812 -3.256 1.00 0.00 N flip ATOM 0 H GLN A 48 0.713 39.113 -1.602 1.00 0.00 H new ATOM 0 HA GLN A 48 2.753 38.369 -3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.664 40.616 -1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.753 40.539 -2.810 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.507 40.262 -4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.747 40.959 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.606 42.330 -2.511 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.399 43.741 -3.554 1.00 0.00 H new ATOM 760 N HIS A 49 4.822 37.807 -2.123 1.00 0.00 N ATOM 761 CA HIS A 49 5.898 37.190 -1.297 1.00 0.00 C ATOM 762 C HIS A 49 6.397 38.203 -0.266 1.00 0.00 C ATOM 763 O HIS A 49 6.910 39.251 -0.605 1.00 0.00 O ATOM 764 CB HIS A 49 7.061 36.777 -2.202 1.00 0.00 C ATOM 765 CG HIS A 49 7.958 35.824 -1.462 1.00 0.00 C ATOM 766 ND1 HIS A 49 7.531 34.569 -1.058 1.00 0.00 N ATOM 767 CD2 HIS A 49 9.261 35.930 -1.044 1.00 0.00 C ATOM 768 CE1 HIS A 49 8.561 33.974 -0.428 1.00 0.00 C ATOM 769 NE2 HIS A 49 9.640 34.761 -0.391 1.00 0.00 N ATOM 0 H HIS A 49 5.066 37.971 -3.100 1.00 0.00 H new ATOM 0 HA HIS A 49 5.502 36.313 -0.785 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.681 36.306 -3.108 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.625 37.657 -2.512 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.896 36.790 -1.198 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.520 32.981 -0.004 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.547 34.550 0.026 1.00 0.00 H new ATOM 777 N GLY A 50 6.250 37.898 0.995 1.00 0.00 N ATOM 778 CA GLY A 50 6.716 38.840 2.051 1.00 0.00 C ATOM 779 C GLY A 50 5.518 39.600 2.625 1.00 0.00 C ATOM 780 O GLY A 50 5.667 40.478 3.450 1.00 0.00 O ATOM 0 H GLY A 50 5.827 37.036 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.225 38.291 2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.439 39.541 1.634 1.00 0.00 H new ATOM 784 N SER A 51 4.332 39.269 2.193 1.00 0.00 N ATOM 785 CA SER A 51 3.127 39.974 2.714 1.00 0.00 C ATOM 786 C SER A 51 2.263 38.990 3.506 1.00 0.00 C ATOM 787 O SER A 51 2.380 37.789 3.359 1.00 0.00 O ATOM 788 CB SER A 51 2.318 40.536 1.544 1.00 0.00 C ATOM 789 OG SER A 51 1.601 41.685 1.971 1.00 0.00 O ATOM 0 H SER A 51 4.146 38.542 1.503 1.00 0.00 H new ATOM 0 HA SER A 51 3.438 40.791 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.983 40.795 0.720 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.626 39.781 1.171 1.00 0.00 H new ATOM 0 HG SER A 51 1.084 42.046 1.221 1.00 0.00 H new ATOM 795 N GLU A 52 1.396 39.487 4.343 1.00 0.00 N ATOM 796 CA GLU A 52 0.525 38.579 5.141 1.00 0.00 C ATOM 797 C GLU A 52 -0.942 38.945 4.904 1.00 0.00 C ATOM 798 O GLU A 52 -1.819 38.540 5.640 1.00 0.00 O ATOM 799 CB GLU A 52 0.856 38.730 6.627 1.00 0.00 C ATOM 800 CG GLU A 52 0.232 37.572 7.409 1.00 0.00 C ATOM 801 CD GLU A 52 0.497 37.766 8.904 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.201 38.702 9.244 1.00 0.00 O ATOM 803 OE2 GLU A 52 -0.008 36.974 9.682 1.00 0.00 O ATOM 0 H GLU A 52 1.253 40.483 4.509 1.00 0.00 H new ATOM 0 HA GLU A 52 0.697 37.547 4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.936 38.739 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.476 39.681 7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.841 37.529 7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.653 36.624 7.074 1.00 0.00 H new ATOM 810 N GLU A 53 -1.213 39.710 3.882 1.00 0.00 N ATOM 811 CA GLU A 53 -2.623 40.102 3.599 1.00 0.00 C ATOM 812 C GLU A 53 -3.036 39.563 2.229 1.00 0.00 C ATOM 813 O GLU A 53 -3.021 40.269 1.241 1.00 0.00 O ATOM 814 CB GLU A 53 -2.738 41.628 3.603 1.00 0.00 C ATOM 815 CG GLU A 53 -4.158 42.033 3.201 1.00 0.00 C ATOM 816 CD GLU A 53 -4.198 43.536 2.916 1.00 0.00 C ATOM 817 OE1 GLU A 53 -3.152 44.160 2.986 1.00 0.00 O ATOM 818 OE2 GLU A 53 -5.273 44.038 2.634 1.00 0.00 O ATOM 0 H GLU A 53 -0.520 40.080 3.231 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.277 39.686 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.503 42.019 4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.015 42.060 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.470 41.476 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.858 41.784 3.999 1.00 0.00 H new ATOM 825 N TRP A 54 -3.408 38.314 2.165 1.00 0.00 N ATOM 826 CA TRP A 54 -3.826 37.722 0.863 1.00 0.00 C ATOM 827 C TRP A 54 -4.730 38.704 0.114 1.00 0.00 C ATOM 828 O TRP A 54 -5.584 39.345 0.692 1.00 0.00 O ATOM 829 CB TRP A 54 -4.585 36.421 1.119 1.00 0.00 C ATOM 830 CG TRP A 54 -3.609 35.330 1.411 1.00 0.00 C ATOM 831 CD1 TRP A 54 -2.977 35.149 2.594 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.139 34.270 0.530 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.151 34.043 2.494 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.216 33.468 1.240 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.422 33.933 -0.805 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.595 32.368 0.646 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.801 32.827 -1.406 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.890 32.047 -0.682 1.00 0.00 C ATOM 0 H TRP A 54 -3.441 37.676 2.961 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.942 37.517 0.259 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.271 36.545 1.957 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.189 36.161 0.249 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.097 35.766 3.472 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.566 33.695 3.254 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.122 34.529 -1.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.893 31.770 1.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.027 32.576 -2.432 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.415 31.197 -1.150 1.00 0.00 H new ATOM 849 N GLU A 55 -4.543 38.822 -1.172 1.00 0.00 N ATOM 850 CA GLU A 55 -5.385 39.759 -1.970 1.00 0.00 C ATOM 851 C GLU A 55 -6.337 38.958 -2.860 1.00 0.00 C ATOM 852 O GLU A 55 -5.953 37.981 -3.472 1.00 0.00 O ATOM 853 CB GLU A 55 -4.484 40.635 -2.843 1.00 0.00 C ATOM 854 CG GLU A 55 -4.400 42.038 -2.241 1.00 0.00 C ATOM 855 CD GLU A 55 -4.630 43.079 -3.339 1.00 0.00 C ATOM 856 OE1 GLU A 55 -5.542 42.889 -4.126 1.00 0.00 O ATOM 857 OE2 GLU A 55 -3.889 44.047 -3.374 1.00 0.00 O ATOM 0 H GLU A 55 -3.842 38.309 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.964 40.391 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.488 40.197 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.880 40.686 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.146 42.153 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.424 42.190 -1.780 1.00 0.00 H new ATOM 864 N PRO A 56 -7.605 39.385 -2.930 1.00 0.00 N ATOM 865 CA PRO A 56 -8.626 38.714 -3.743 1.00 0.00 C ATOM 866 C PRO A 56 -8.393 38.927 -5.244 1.00 0.00 C ATOM 867 O PRO A 56 -7.950 39.974 -5.668 1.00 0.00 O ATOM 868 CB PRO A 56 -9.927 39.395 -3.319 1.00 0.00 C ATOM 869 CG PRO A 56 -9.506 40.738 -2.826 1.00 0.00 C ATOM 870 CD PRO A 56 -8.143 40.559 -2.218 1.00 0.00 C ATOM 0 HA PRO A 56 -8.622 37.635 -3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.621 39.479 -4.155 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.435 38.828 -2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.475 41.459 -3.643 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.213 41.120 -2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.518 41.440 -2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.202 40.386 -1.143 1.00 0.00 H new ATOM 878 N LEU A 57 -8.697 37.945 -6.049 1.00 0.00 N ATOM 879 CA LEU A 57 -8.500 38.099 -7.519 1.00 0.00 C ATOM 880 C LEU A 57 -9.866 38.128 -8.204 1.00 0.00 C ATOM 881 O LEU A 57 -10.834 37.605 -7.689 1.00 0.00 O ATOM 882 CB LEU A 57 -7.689 36.918 -8.055 1.00 0.00 C ATOM 883 CG LEU A 57 -6.206 37.141 -7.760 1.00 0.00 C ATOM 884 CD1 LEU A 57 -5.879 36.613 -6.364 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.361 36.396 -8.798 1.00 0.00 C ATOM 0 H LEU A 57 -9.073 37.044 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.964 39.026 -7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.027 35.991 -7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.845 36.813 -9.129 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.983 38.207 -7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.821 36.772 -6.153 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.480 37.143 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.102 35.547 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.303 36.555 -8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.584 35.330 -8.752 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.594 36.772 -9.794 1.00 0.00 H new ATOM 897 N THR A 58 -9.962 38.727 -9.360 1.00 0.00 N ATOM 898 CA THR A 58 -11.281 38.766 -10.050 1.00 0.00 C ATOM 899 C THR A 58 -11.235 37.859 -11.282 1.00 0.00 C ATOM 900 O THR A 58 -10.359 37.974 -12.116 1.00 0.00 O ATOM 901 CB THR A 58 -11.602 40.201 -10.476 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.429 41.071 -9.366 1.00 0.00 O ATOM 903 CG2 THR A 58 -13.048 40.278 -10.967 1.00 0.00 C ATOM 0 H THR A 58 -9.194 39.185 -9.851 1.00 0.00 H new ATOM 0 HA THR A 58 -12.057 38.416 -9.369 1.00 0.00 H new ATOM 0 HB THR A 58 -10.932 40.501 -11.282 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.632 41.991 -9.636 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.275 41.300 -11.270 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.179 39.610 -11.818 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.721 39.979 -10.164 1.00 0.00 H new ATOM 911 N LYS A 59 -12.166 36.950 -11.403 1.00 0.00 N ATOM 912 CA LYS A 59 -12.162 36.038 -12.580 1.00 0.00 C ATOM 913 C LYS A 59 -12.603 36.814 -13.823 1.00 0.00 C ATOM 914 O LYS A 59 -13.747 37.203 -13.944 1.00 0.00 O ATOM 915 CB LYS A 59 -13.132 34.882 -12.326 1.00 0.00 C ATOM 916 CG LYS A 59 -12.752 33.693 -13.210 1.00 0.00 C ATOM 917 CD LYS A 59 -13.537 32.458 -12.766 1.00 0.00 C ATOM 918 CE LYS A 59 -13.159 31.268 -13.649 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.048 31.234 -14.845 1.00 0.00 N ATOM 0 H LYS A 59 -12.926 36.801 -10.739 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.158 35.643 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.102 34.592 -11.276 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.153 35.197 -12.541 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.968 33.919 -14.254 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.681 33.501 -13.140 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.321 32.233 -11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.608 32.650 -12.835 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.117 31.348 -13.959 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.253 30.339 -13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.515 30.877 -15.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.857 30.607 -14.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.393 32.194 -15.048 1.00 0.00 H new ATOM 933 N LYS A 60 -11.711 37.057 -14.745 1.00 0.00 N ATOM 934 CA LYS A 60 -12.107 37.821 -15.962 1.00 0.00 C ATOM 935 C LYS A 60 -11.892 36.966 -17.214 1.00 0.00 C ATOM 936 O LYS A 60 -10.937 36.226 -17.314 1.00 0.00 O ATOM 937 CB LYS A 60 -11.255 39.087 -16.063 1.00 0.00 C ATOM 938 CG LYS A 60 -11.776 40.132 -15.073 1.00 0.00 C ATOM 939 CD LYS A 60 -11.676 41.524 -15.701 1.00 0.00 C ATOM 940 CE LYS A 60 -13.066 41.985 -16.143 1.00 0.00 C ATOM 941 NZ LYS A 60 -13.555 43.046 -15.217 1.00 0.00 N ATOM 0 H LYS A 60 -10.735 36.763 -14.709 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.161 38.087 -15.888 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.212 38.855 -15.848 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.291 39.482 -17.078 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.811 39.914 -14.809 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.197 40.095 -14.150 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.258 42.230 -14.983 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.000 41.501 -16.556 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.027 42.367 -17.163 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.757 41.142 -16.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.500 43.360 -15.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.607 42.666 -14.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.900 43.853 -15.237 1.00 0.00 H new ATOM 955 N GLY A 61 -12.765 37.073 -18.175 1.00 0.00 N ATOM 956 CA GLY A 61 -12.604 36.280 -19.429 1.00 0.00 C ATOM 957 C GLY A 61 -12.159 34.849 -19.104 1.00 0.00 C ATOM 958 O GLY A 61 -11.446 34.228 -19.869 1.00 0.00 O ATOM 0 H GLY A 61 -13.587 37.677 -18.148 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.546 36.259 -19.977 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.869 36.758 -20.077 1.00 0.00 H new ATOM 962 N ASN A 62 -12.581 34.317 -17.990 1.00 0.00 N ATOM 963 CA ASN A 62 -12.192 32.918 -17.632 1.00 0.00 C ATOM 964 C ASN A 62 -10.790 32.893 -17.013 1.00 0.00 C ATOM 965 O ASN A 62 -10.194 31.845 -16.855 1.00 0.00 O ATOM 966 CB ASN A 62 -12.208 32.045 -18.888 1.00 0.00 C ATOM 967 CG ASN A 62 -12.895 30.715 -18.576 1.00 0.00 C ATOM 968 OD1 ASN A 62 -12.978 30.316 -17.432 1.00 0.00 O ATOM 969 ND2 ASN A 62 -13.393 30.007 -19.552 1.00 0.00 N ATOM 0 H ASN A 62 -13.178 34.788 -17.311 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.906 32.532 -16.904 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.734 32.558 -19.694 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.190 31.868 -19.234 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.852 29.118 -19.354 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.323 30.342 -20.513 1.00 0.00 H new ATOM 976 N VAL A 63 -10.261 34.028 -16.651 1.00 0.00 N ATOM 977 CA VAL A 63 -8.904 34.054 -16.031 1.00 0.00 C ATOM 978 C VAL A 63 -8.966 34.869 -14.740 1.00 0.00 C ATOM 979 O VAL A 63 -9.991 35.423 -14.401 1.00 0.00 O ATOM 980 CB VAL A 63 -7.901 34.696 -16.994 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.676 33.770 -18.189 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.444 36.039 -17.486 1.00 0.00 C ATOM 0 H VAL A 63 -10.708 34.939 -16.757 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.583 33.035 -15.814 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.957 34.857 -16.474 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.962 34.227 -18.874 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.284 32.815 -17.840 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.622 33.607 -18.706 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.727 36.492 -18.171 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.390 35.881 -18.003 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.602 36.702 -16.635 1.00 0.00 H new ATOM 992 N TRP A 64 -7.885 34.953 -14.015 1.00 0.00 N ATOM 993 CA TRP A 64 -7.914 35.742 -12.752 1.00 0.00 C ATOM 994 C TRP A 64 -6.951 36.925 -12.865 1.00 0.00 C ATOM 995 O TRP A 64 -5.853 36.801 -13.372 1.00 0.00 O ATOM 996 CB TRP A 64 -7.507 34.851 -11.578 1.00 0.00 C ATOM 997 CG TRP A 64 -8.553 33.803 -11.370 1.00 0.00 C ATOM 998 CD1 TRP A 64 -8.639 32.644 -12.062 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.660 33.797 -10.423 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -9.730 31.928 -11.602 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.391 32.598 -10.591 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.098 34.709 -9.445 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.516 32.312 -9.818 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.230 34.424 -8.664 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -11.937 33.228 -8.850 1.00 0.00 C ATOM 0 H TRP A 64 -6.992 34.515 -14.239 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.924 36.116 -12.582 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.542 34.384 -11.778 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.391 35.450 -10.675 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.966 32.329 -12.846 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.012 31.017 -11.965 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.561 35.634 -9.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.058 31.390 -9.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.558 35.130 -7.916 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -12.806 33.015 -8.246 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.356 38.072 -12.397 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.472 39.267 -12.476 1.00 0.00 C ATOM 1018 C GLU A 65 -6.281 39.852 -11.075 1.00 0.00 C ATOM 1019 O GLU A 65 -7.205 39.917 -10.287 1.00 0.00 O ATOM 1020 CB GLU A 65 -7.116 40.318 -13.382 1.00 0.00 C ATOM 1021 CG GLU A 65 -7.632 39.644 -14.656 1.00 0.00 C ATOM 1022 CD GLU A 65 -8.090 40.716 -15.649 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -8.325 41.833 -15.218 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -8.199 40.399 -16.823 1.00 0.00 O ATOM 0 H GLU A 65 -8.264 38.234 -11.962 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.504 38.977 -12.885 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.936 40.810 -12.860 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.390 41.090 -13.635 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.847 39.032 -15.101 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.460 38.976 -14.418 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.088 40.277 -10.760 1.00 0.00 N ATOM 1032 CA VAL A 66 -4.831 40.858 -9.413 1.00 0.00 C ATOM 1033 C VAL A 66 -4.034 42.154 -9.565 1.00 0.00 C ATOM 1034 O VAL A 66 -3.034 42.201 -10.254 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.026 39.862 -8.574 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -2.622 39.718 -9.163 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -3.925 40.373 -7.136 1.00 0.00 C ATOM 0 H VAL A 66 -4.278 40.247 -11.380 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.780 41.067 -8.919 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.525 38.893 -8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.048 39.009 -8.566 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.693 39.355 -10.188 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.123 40.687 -9.155 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.352 39.665 -6.538 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.426 41.342 -7.128 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.925 40.477 -6.716 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.464 43.209 -8.927 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.723 44.497 -9.039 1.00 0.00 C ATOM 1049 C LYS A 67 -3.260 44.943 -7.650 1.00 0.00 C ATOM 1050 O LYS A 67 -4.018 44.948 -6.701 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.633 45.565 -9.649 1.00 0.00 C ATOM 1052 CG LYS A 67 -3.996 46.945 -9.467 1.00 0.00 C ATOM 1053 CD LYS A 67 -4.975 48.025 -9.933 1.00 0.00 C ATOM 1054 CE LYS A 67 -4.507 49.390 -9.426 1.00 0.00 C ATOM 1055 NZ LYS A 67 -5.683 50.177 -8.958 1.00 0.00 N ATOM 0 H LYS A 67 -5.294 43.234 -8.335 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.854 44.359 -9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.790 45.362 -10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.612 45.539 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.736 47.102 -8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.070 47.008 -10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.036 48.031 -11.021 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.976 47.810 -9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.794 49.262 -8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.990 49.927 -10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.365 51.105 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.348 50.310 -9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.158 49.666 -8.187 1.00 0.00 H new ATOM 1069 N SER A 68 -2.015 45.314 -7.530 1.00 0.00 N ATOM 1070 CA SER A 68 -1.483 45.757 -6.212 1.00 0.00 C ATOM 1071 C SER A 68 -1.014 47.207 -6.315 1.00 0.00 C ATOM 1072 O SER A 68 -0.518 47.637 -7.338 1.00 0.00 O ATOM 1073 CB SER A 68 -0.297 44.872 -5.827 1.00 0.00 C ATOM 1074 OG SER A 68 0.154 45.223 -4.528 1.00 0.00 O ATOM 0 H SER A 68 -1.340 45.329 -8.294 1.00 0.00 H new ATOM 0 HA SER A 68 -2.265 45.678 -5.457 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.590 43.822 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.510 44.994 -6.549 1.00 0.00 H new ATOM 0 HG SER A 68 0.772 44.537 -4.200 1.00 0.00 H new ATOM 1080 N SER A 69 -1.158 47.967 -5.265 1.00 0.00 N ATOM 1081 CA SER A 69 -0.709 49.385 -5.311 1.00 0.00 C ATOM 1082 C SER A 69 0.821 49.427 -5.296 1.00 0.00 C ATOM 1083 O SER A 69 1.426 50.473 -5.422 1.00 0.00 O ATOM 1084 CB SER A 69 -1.254 50.137 -4.095 1.00 0.00 C ATOM 1085 OG SER A 69 -2.674 50.109 -4.118 1.00 0.00 O ATOM 0 H SER A 69 -1.566 47.668 -4.379 1.00 0.00 H new ATOM 0 HA SER A 69 -1.081 49.857 -6.220 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.886 49.680 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.900 51.168 -4.103 1.00 0.00 H new ATOM 0 HG SER A 69 -3.023 50.589 -3.338 1.00 0.00 H new ATOM 1091 N LYS A 70 1.449 48.293 -5.144 1.00 0.00 N ATOM 1092 CA LYS A 70 2.938 48.256 -5.122 1.00 0.00 C ATOM 1093 C LYS A 70 3.427 47.178 -6.093 1.00 0.00 C ATOM 1094 O LYS A 70 2.640 46.484 -6.705 1.00 0.00 O ATOM 1095 CB LYS A 70 3.416 47.926 -3.705 1.00 0.00 C ATOM 1096 CG LYS A 70 4.155 49.131 -3.123 1.00 0.00 C ATOM 1097 CD LYS A 70 5.190 48.650 -2.103 1.00 0.00 C ATOM 1098 CE LYS A 70 4.524 47.691 -1.114 1.00 0.00 C ATOM 1099 NZ LYS A 70 5.271 47.710 0.176 1.00 0.00 N ATOM 0 H LYS A 70 0.993 47.387 -5.034 1.00 0.00 H new ATOM 0 HA LYS A 70 3.337 49.225 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.566 47.668 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.074 47.057 -3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.646 49.690 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.448 49.810 -2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.013 48.150 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.615 49.501 -1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.487 47.983 -0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.510 46.681 -1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.819 47.058 0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.254 47.412 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.262 48.673 0.568 1.00 0.00 H new ATOM 1113 N PRO A 71 4.754 47.036 -6.235 1.00 0.00 N ATOM 1114 CA PRO A 71 5.349 46.040 -7.135 1.00 0.00 C ATOM 1115 C PRO A 71 5.123 44.611 -6.630 1.00 0.00 C ATOM 1116 O PRO A 71 5.098 44.359 -5.442 1.00 0.00 O ATOM 1117 CB PRO A 71 6.840 46.381 -7.111 1.00 0.00 C ATOM 1118 CG PRO A 71 7.045 47.073 -5.807 1.00 0.00 C ATOM 1119 CD PRO A 71 5.778 47.831 -5.534 1.00 0.00 C ATOM 0 HA PRO A 71 4.910 46.073 -8.132 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.453 45.483 -7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.114 47.023 -7.948 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.248 46.355 -5.013 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.900 47.747 -5.854 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.572 47.901 -4.466 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.828 48.851 -5.916 1.00 0.00 H new ATOM 1127 N LEU A 72 4.954 43.677 -7.526 1.00 0.00 N ATOM 1128 CA LEU A 72 4.724 42.267 -7.101 1.00 0.00 C ATOM 1129 C LEU A 72 6.065 41.585 -6.820 1.00 0.00 C ATOM 1130 O LEU A 72 7.028 41.760 -7.541 1.00 0.00 O ATOM 1131 CB LEU A 72 3.989 41.515 -8.213 1.00 0.00 C ATOM 1132 CG LEU A 72 2.742 42.302 -8.622 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.494 42.123 -10.121 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.534 41.786 -7.839 1.00 0.00 C ATOM 0 H LEU A 72 4.965 43.830 -8.534 1.00 0.00 H new ATOM 0 HA LEU A 72 4.121 42.257 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.646 41.381 -9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.708 40.520 -7.869 1.00 0.00 H new ATOM 0 HG LEU A 72 2.892 43.359 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.606 42.684 -10.412 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.355 42.492 -10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.344 41.066 -10.341 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.645 42.346 -8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.384 40.729 -8.057 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.711 41.915 -6.771 1.00 0.00 H new ATOM 1146 N VAL A 73 6.132 40.809 -5.773 1.00 0.00 N ATOM 1147 CA VAL A 73 7.405 40.114 -5.436 1.00 0.00 C ATOM 1148 C VAL A 73 7.159 38.605 -5.363 1.00 0.00 C ATOM 1149 O VAL A 73 6.305 38.139 -4.635 1.00 0.00 O ATOM 1150 CB VAL A 73 7.911 40.610 -4.079 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.279 39.990 -3.788 1.00 0.00 C ATOM 1152 CG2 VAL A 73 8.035 42.135 -4.108 1.00 0.00 C ATOM 0 H VAL A 73 5.357 40.626 -5.135 1.00 0.00 H new ATOM 0 HA VAL A 73 8.149 40.326 -6.204 1.00 0.00 H new ATOM 0 HB VAL A 73 7.208 40.318 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.640 40.343 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.189 38.904 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.984 40.281 -4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.395 42.489 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.738 42.428 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.060 42.575 -4.315 1.00 0.00 H new ATOM 1162 N GLY A 74 7.903 37.837 -6.111 1.00 0.00 N ATOM 1163 CA GLY A 74 7.715 36.358 -6.083 1.00 0.00 C ATOM 1164 C GLY A 74 8.690 35.741 -5.077 1.00 0.00 C ATOM 1165 O GLY A 74 9.584 36.400 -4.585 1.00 0.00 O ATOM 0 H GLY A 74 8.633 38.170 -6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.689 36.116 -5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.885 35.940 -7.075 1.00 0.00 H new ATOM 1169 N PRO A 75 8.511 34.447 -4.769 1.00 0.00 N ATOM 1170 CA PRO A 75 7.438 33.629 -5.351 1.00 0.00 C ATOM 1171 C PRO A 75 6.054 34.066 -4.863 1.00 0.00 C ATOM 1172 O PRO A 75 5.889 34.530 -3.752 1.00 0.00 O ATOM 1173 CB PRO A 75 7.755 32.219 -4.859 1.00 0.00 C ATOM 1174 CG PRO A 75 8.543 32.426 -3.610 1.00 0.00 C ATOM 1175 CD PRO A 75 9.341 33.681 -3.824 1.00 0.00 C ATOM 0 HA PRO A 75 7.402 33.714 -6.437 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.844 31.653 -4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.326 31.659 -5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.886 32.525 -2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.198 31.576 -3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.496 34.224 -2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.327 33.466 -4.236 1.00 0.00 H new ATOM 1183 N PHE A 76 5.063 33.930 -5.700 1.00 0.00 N ATOM 1184 CA PHE A 76 3.684 34.345 -5.317 1.00 0.00 C ATOM 1185 C PHE A 76 2.924 33.173 -4.693 1.00 0.00 C ATOM 1186 O PHE A 76 3.165 32.021 -5.005 1.00 0.00 O ATOM 1187 CB PHE A 76 2.944 34.807 -6.574 1.00 0.00 C ATOM 1188 CG PHE A 76 3.599 36.058 -7.108 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.428 37.277 -6.439 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.378 36.000 -8.269 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.038 38.436 -6.931 1.00 0.00 C ATOM 1192 CE2 PHE A 76 4.988 37.160 -8.762 1.00 0.00 C ATOM 1193 CZ PHE A 76 4.818 38.378 -8.092 1.00 0.00 C ATOM 0 H PHE A 76 5.150 33.546 -6.641 1.00 0.00 H new ATOM 0 HA PHE A 76 3.744 35.153 -4.588 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.963 34.022 -7.330 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.897 35.002 -6.342 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.826 37.322 -5.544 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.509 35.060 -8.785 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.907 39.376 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.589 37.115 -9.658 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.289 39.273 -8.471 1.00 0.00 H new ATOM 1203 N ASN A 77 1.993 33.461 -3.821 1.00 0.00 N ATOM 1204 CA ASN A 77 1.197 32.374 -3.183 1.00 0.00 C ATOM 1205 C ASN A 77 -0.253 32.474 -3.669 1.00 0.00 C ATOM 1206 O ASN A 77 -0.773 33.554 -3.869 1.00 0.00 O ATOM 1207 CB ASN A 77 1.240 32.535 -1.662 1.00 0.00 C ATOM 1208 CG ASN A 77 2.688 32.741 -1.212 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.373 31.795 -0.877 1.00 0.00 O ATOM 1210 ND2 ASN A 77 3.187 33.947 -1.191 1.00 0.00 N ATOM 0 H ASN A 77 1.750 34.406 -3.523 1.00 0.00 H new ATOM 0 HA ASN A 77 1.612 31.402 -3.452 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.629 33.385 -1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.820 31.652 -1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.151 34.095 -0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.613 34.742 -1.472 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.912 31.364 -3.870 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.323 31.421 -4.354 1.00 0.00 C ATOM 1219 C PHE A 78 -3.185 30.407 -3.596 1.00 0.00 C ATOM 1220 O PHE A 78 -2.862 29.238 -3.525 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.365 31.084 -5.845 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.499 32.050 -6.616 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.108 31.895 -6.621 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -2.088 33.099 -7.333 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.694 32.788 -7.341 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.286 33.990 -8.056 1.00 0.00 C ATOM 1227 CZ PHE A 78 0.105 33.835 -8.059 1.00 0.00 C ATOM 0 H PHE A 78 -0.538 30.427 -3.721 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.710 32.426 -4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.018 30.063 -6.006 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.391 31.133 -6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.347 31.086 -6.069 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.161 33.221 -7.328 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.767 32.669 -7.342 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.741 34.797 -8.611 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.724 34.523 -8.615 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.292 30.838 -3.050 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.181 29.885 -2.325 1.00 0.00 C ATOM 1239 C ARG A 79 -6.435 29.655 -3.172 1.00 0.00 C ATOM 1240 O ARG A 79 -6.919 30.551 -3.835 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.565 30.455 -0.959 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.607 29.545 -0.304 1.00 0.00 C ATOM 1243 CD ARG A 79 -7.129 30.206 0.974 1.00 0.00 C ATOM 1244 NE ARG A 79 -8.093 31.283 0.616 1.00 0.00 N ATOM 1245 CZ ARG A 79 -9.254 31.345 1.210 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -9.367 30.987 2.459 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -10.301 31.765 0.553 1.00 0.00 N ATOM 0 H ARG A 79 -4.617 31.804 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.661 28.941 -2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.683 30.532 -0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.965 31.462 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.431 29.362 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.165 28.576 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.615 29.464 1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.300 30.621 1.547 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.846 31.973 -0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.548 30.659 2.971 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -10.274 31.035 2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.212 32.044 -0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.208 31.814 1.017 1.00 0.00 H new ATOM 1261 N PHE A 80 -6.944 28.453 -3.187 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.140 28.163 -4.028 1.00 0.00 C ATOM 1263 C PHE A 80 -9.290 27.604 -3.188 1.00 0.00 C ATOM 1264 O PHE A 80 -9.090 26.845 -2.263 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.753 27.121 -5.073 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.106 27.810 -6.248 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -5.949 28.573 -6.058 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.663 27.691 -7.525 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.348 29.217 -7.144 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.063 28.334 -8.613 1.00 0.00 C ATOM 1271 CZ PHE A 80 -5.904 29.098 -8.422 1.00 0.00 C ATOM 0 H PHE A 80 -6.584 27.661 -2.654 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.471 29.091 -4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.067 26.393 -4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.636 26.572 -5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.519 28.665 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.557 27.103 -7.671 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.455 29.806 -6.996 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.493 28.242 -9.599 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.440 29.595 -9.261 1.00 0.00 H new ATOM 1281 N MET A 81 -10.499 27.959 -3.527 1.00 0.00 N ATOM 1282 CA MET A 81 -11.672 27.433 -2.775 1.00 0.00 C ATOM 1283 C MET A 81 -12.661 26.836 -3.778 1.00 0.00 C ATOM 1284 O MET A 81 -13.049 27.475 -4.736 1.00 0.00 O ATOM 1285 CB MET A 81 -12.341 28.560 -1.985 1.00 0.00 C ATOM 1286 CG MET A 81 -13.733 28.114 -1.533 1.00 0.00 C ATOM 1287 SD MET A 81 -14.596 29.509 -0.770 1.00 0.00 S ATOM 1288 CE MET A 81 -14.418 28.975 0.950 1.00 0.00 C ATOM 0 H MET A 81 -10.725 28.592 -4.294 1.00 0.00 H new ATOM 0 HA MET A 81 -11.348 26.668 -2.070 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.733 28.821 -1.119 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.418 29.455 -2.603 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.302 27.743 -2.385 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.650 27.291 -0.823 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.381 29.047 1.455 1.00 0.00 H new ATOM 0 HE2 MET A 81 -14.071 27.942 0.976 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.694 29.614 1.456 1.00 0.00 H new ATOM 1298 N SER A 82 -13.050 25.603 -3.585 1.00 0.00 N ATOM 1299 CA SER A 82 -13.984 24.963 -4.550 1.00 0.00 C ATOM 1300 C SER A 82 -15.421 25.413 -4.277 1.00 0.00 C ATOM 1301 O SER A 82 -15.821 25.591 -3.142 1.00 0.00 O ATOM 1302 CB SER A 82 -13.900 23.443 -4.408 1.00 0.00 C ATOM 1303 OG SER A 82 -14.697 23.026 -3.310 1.00 0.00 O ATOM 0 H SER A 82 -12.761 25.015 -2.803 1.00 0.00 H new ATOM 0 HA SER A 82 -13.703 25.259 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.243 22.962 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.865 23.138 -4.256 1.00 0.00 H new ATOM 0 HG SER A 82 -15.412 22.437 -3.630 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.199 25.576 -5.309 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.617 25.994 -5.117 1.00 0.00 C ATOM 1311 C LYS A 83 -18.229 25.174 -3.976 1.00 0.00 C ATOM 1312 O LYS A 83 -18.926 25.693 -3.127 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.406 25.749 -6.404 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.911 26.701 -7.494 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.760 26.517 -8.754 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.343 27.549 -9.802 1.00 0.00 C ATOM 1317 NZ LYS A 83 -18.642 28.919 -9.298 1.00 0.00 N ATOM 0 H LYS A 83 -15.915 25.438 -6.279 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.656 27.055 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.284 24.715 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.470 25.904 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.974 27.732 -7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.863 26.503 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.631 25.509 -9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.817 26.633 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.279 27.454 -10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.875 27.370 -10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.752 29.569 -10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -19.522 28.901 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.860 29.245 -8.694 1.00 0.00 H new ATOM 1331 N GLY A 84 -17.972 23.893 -3.955 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.534 23.025 -2.876 1.00 0.00 C ATOM 1333 C GLY A 84 -18.102 23.544 -1.498 1.00 0.00 C ATOM 1334 O GLY A 84 -18.505 23.023 -0.477 1.00 0.00 O ATOM 0 H GLY A 84 -17.395 23.407 -4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.622 23.009 -2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.192 21.999 -3.010 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.298 24.571 -1.458 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.860 25.123 -0.145 1.00 0.00 C ATOM 1340 C GLY A 85 -15.540 24.478 0.278 1.00 0.00 C ATOM 1341 O GLY A 85 -15.203 24.445 1.445 1.00 0.00 O ATOM 0 H GLY A 85 -16.926 25.051 -2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.740 26.204 -0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.624 24.937 0.610 1.00 0.00 H new ATOM 1345 N MET A 86 -14.783 23.974 -0.656 1.00 0.00 N ATOM 1346 CA MET A 86 -13.479 23.345 -0.294 1.00 0.00 C ATOM 1347 C MET A 86 -12.365 24.366 -0.513 1.00 0.00 C ATOM 1348 O MET A 86 -12.451 25.202 -1.384 1.00 0.00 O ATOM 1349 CB MET A 86 -13.232 22.118 -1.172 1.00 0.00 C ATOM 1350 CG MET A 86 -14.444 21.187 -1.102 1.00 0.00 C ATOM 1351 SD MET A 86 -13.979 19.545 -1.703 1.00 0.00 S ATOM 1352 CE MET A 86 -12.699 19.206 -0.468 1.00 0.00 C ATOM 0 H MET A 86 -15.008 23.969 -1.651 1.00 0.00 H new ATOM 0 HA MET A 86 -13.498 23.032 0.750 1.00 0.00 H new ATOM 0 HB2 MET A 86 -13.055 22.425 -2.203 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.337 21.593 -0.838 1.00 0.00 H new ATOM 0 HG2 MET A 86 -14.807 21.121 -0.076 1.00 0.00 H new ATOM 0 HG3 MET A 86 -15.260 21.589 -1.703 1.00 0.00 H new ATOM 0 HE1 MET A 86 -12.715 18.147 -0.208 1.00 0.00 H new ATOM 0 HE2 MET A 86 -11.722 19.465 -0.876 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.888 19.802 0.425 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.328 24.329 0.278 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.238 25.328 0.099 1.00 0.00 C ATOM 1364 C ARG A 87 -8.889 24.625 -0.071 1.00 0.00 C ATOM 1365 O ARG A 87 -8.607 23.626 0.563 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.182 26.240 1.325 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.393 27.175 1.320 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.274 28.171 2.475 1.00 0.00 C ATOM 1369 NE ARG A 87 -11.121 27.426 3.757 1.00 0.00 N ATOM 1370 CZ ARG A 87 -11.784 27.804 4.816 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -11.312 28.754 5.576 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -12.919 27.234 5.114 1.00 0.00 N ATOM 0 H ARG A 87 -11.189 23.657 1.033 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.443 25.916 -0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.174 25.642 2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.260 26.821 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.450 27.708 0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.312 26.597 1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.417 28.826 2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.159 28.807 2.514 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.498 26.620 3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.425 29.201 5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.830 29.050 6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.289 26.492 4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.436 27.530 5.942 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.047 25.158 -0.914 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.703 24.555 -1.127 1.00 0.00 C ATOM 1388 C ASN A 88 -5.675 25.686 -1.187 1.00 0.00 C ATOM 1389 O ASN A 88 -5.937 26.742 -1.727 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.687 23.770 -2.440 1.00 0.00 C ATOM 1391 CG ASN A 88 -7.768 22.688 -2.400 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -8.929 22.980 -2.190 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.435 21.441 -2.594 1.00 0.00 N ATOM 0 H ASN A 88 -8.236 25.993 -1.469 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.465 23.872 -0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.861 24.442 -3.280 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.708 23.316 -2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.149 20.713 -2.569 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.461 21.195 -2.770 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.515 25.490 -0.627 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.496 26.576 -0.652 1.00 0.00 C ATOM 1402 C VAL A 89 -2.222 26.090 -1.341 1.00 0.00 C ATOM 1403 O VAL A 89 -1.746 24.999 -1.098 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.171 27.000 0.782 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.392 28.317 0.760 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.470 27.190 1.567 1.00 0.00 C ATOM 0 H VAL A 89 -4.229 24.632 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.895 27.425 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.568 26.228 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.160 28.620 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.465 28.182 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.995 29.088 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.237 27.492 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.074 27.961 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.026 26.252 1.584 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.659 26.905 -2.191 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.406 26.511 -2.890 1.00 0.00 C ATOM 1418 C PHE A 90 0.653 27.583 -2.639 1.00 0.00 C ATOM 1419 O PHE A 90 0.455 28.745 -2.937 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.664 26.394 -4.393 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.869 25.516 -4.636 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -1.712 24.130 -4.762 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -3.143 26.089 -4.740 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -2.829 23.317 -4.991 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -4.260 25.276 -4.968 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.102 23.891 -5.095 1.00 0.00 C ATOM 0 H PHE A 90 -2.016 27.830 -2.431 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.062 25.548 -2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.830 27.383 -4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.210 25.974 -4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.730 23.688 -4.683 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.264 27.158 -4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.709 22.248 -5.087 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.243 25.717 -5.046 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.963 23.264 -5.273 1.00 0.00 H new ATOM 1436 N ASP A 91 1.772 27.210 -2.087 1.00 0.00 N ATOM 1437 CA ASP A 91 2.833 28.218 -1.815 1.00 0.00 C ATOM 1438 C ASP A 91 3.879 28.178 -2.928 1.00 0.00 C ATOM 1439 O ASP A 91 4.163 27.141 -3.494 1.00 0.00 O ATOM 1440 CB ASP A 91 3.500 27.912 -0.473 1.00 0.00 C ATOM 1441 CG ASP A 91 2.469 28.037 0.650 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.462 28.689 0.432 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.704 27.477 1.709 1.00 0.00 O ATOM 0 H ASP A 91 1.998 26.254 -1.813 1.00 0.00 H new ATOM 0 HA ASP A 91 2.385 29.211 -1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.920 26.906 -0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.327 28.601 -0.300 1.00 0.00 H new ATOM 1448 N GLU A 92 4.460 29.303 -3.238 1.00 0.00 N ATOM 1449 CA GLU A 92 5.497 29.347 -4.305 1.00 0.00 C ATOM 1450 C GLU A 92 4.962 28.714 -5.591 1.00 0.00 C ATOM 1451 O GLU A 92 5.591 27.852 -6.170 1.00 0.00 O ATOM 1452 CB GLU A 92 6.733 28.577 -3.839 1.00 0.00 C ATOM 1453 CG GLU A 92 7.040 28.933 -2.383 1.00 0.00 C ATOM 1454 CD GLU A 92 8.249 28.126 -1.905 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.051 27.008 -1.461 1.00 0.00 O ATOM 1456 OE2 GLU A 92 9.351 28.643 -1.988 1.00 0.00 O ATOM 0 H GLU A 92 4.259 30.200 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 92 5.758 30.386 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.563 27.505 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.586 28.822 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.243 30.000 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.175 28.719 -1.755 1.00 0.00 H new ATOM 1463 N VAL A 93 3.816 29.134 -6.058 1.00 0.00 N ATOM 1464 CA VAL A 93 3.274 28.547 -7.317 1.00 0.00 C ATOM 1465 C VAL A 93 3.954 29.213 -8.515 1.00 0.00 C ATOM 1466 O VAL A 93 4.179 28.595 -9.536 1.00 0.00 O ATOM 1467 CB VAL A 93 1.764 28.788 -7.390 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.211 28.168 -8.674 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.084 28.144 -6.180 1.00 0.00 C ATOM 0 H VAL A 93 3.236 29.853 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 93 3.468 27.475 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 93 1.567 29.860 -7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.136 28.339 -8.727 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.694 28.626 -9.537 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.408 27.096 -8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.009 28.316 -6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.280 27.072 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.478 28.585 -5.264 1.00 0.00 H new ATOM 1479 N ILE A 94 4.288 30.469 -8.395 1.00 0.00 N ATOM 1480 CA ILE A 94 4.960 31.172 -9.523 1.00 0.00 C ATOM 1481 C ILE A 94 6.078 32.055 -8.967 1.00 0.00 C ATOM 1482 O ILE A 94 5.861 32.865 -8.088 1.00 0.00 O ATOM 1483 CB ILE A 94 3.942 32.040 -10.266 1.00 0.00 C ATOM 1484 CG1 ILE A 94 2.907 31.141 -10.946 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.663 32.877 -11.324 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.879 32.009 -11.674 1.00 0.00 C ATOM 0 H ILE A 94 4.124 31.038 -7.564 1.00 0.00 H new ATOM 0 HA ILE A 94 5.379 30.441 -10.214 1.00 0.00 H new ATOM 0 HB ILE A 94 3.441 32.701 -9.558 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.399 30.471 -11.652 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.411 30.515 -10.205 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.939 33.496 -11.854 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.402 33.516 -10.841 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.163 32.216 -12.032 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.141 31.370 -12.159 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.380 32.660 -10.957 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.383 32.616 -12.426 1.00 0.00 H new ATOM 1498 N PRO A 95 7.302 31.886 -9.488 1.00 0.00 N ATOM 1499 CA PRO A 95 8.466 32.662 -9.040 1.00 0.00 C ATOM 1500 C PRO A 95 8.367 34.133 -9.452 1.00 0.00 C ATOM 1501 O PRO A 95 7.592 34.498 -10.314 1.00 0.00 O ATOM 1502 CB PRO A 95 9.640 31.992 -9.752 1.00 0.00 C ATOM 1503 CG PRO A 95 9.032 31.354 -10.957 1.00 0.00 C ATOM 1504 CD PRO A 95 7.648 30.930 -10.554 1.00 0.00 C ATOM 0 HA PRO A 95 8.559 32.668 -7.954 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.403 32.719 -10.030 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.123 31.253 -9.112 1.00 0.00 H new ATOM 0 HG2 PRO A 95 8.997 32.054 -11.792 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.622 30.498 -11.283 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.950 30.987 -11.389 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.630 29.901 -10.194 1.00 0.00 H new ATOM 1512 N THR A 96 9.143 34.980 -8.834 1.00 0.00 N ATOM 1513 CA THR A 96 9.096 36.429 -9.177 1.00 0.00 C ATOM 1514 C THR A 96 9.294 36.615 -10.682 1.00 0.00 C ATOM 1515 O THR A 96 8.658 37.445 -11.301 1.00 0.00 O ATOM 1516 CB THR A 96 10.206 37.167 -8.423 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.078 36.916 -7.030 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.093 38.669 -8.686 1.00 0.00 C ATOM 0 H THR A 96 9.810 34.730 -8.104 1.00 0.00 H new ATOM 0 HA THR A 96 8.125 36.833 -8.890 1.00 0.00 H new ATOM 0 HB THR A 96 11.177 36.813 -8.768 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.445 37.672 -6.526 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.884 39.193 -8.149 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.192 38.860 -9.755 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.122 39.027 -8.342 1.00 0.00 H new ATOM 1526 N ALA A 97 10.174 35.858 -11.279 1.00 0.00 N ATOM 1527 CA ALA A 97 10.404 36.011 -12.743 1.00 0.00 C ATOM 1528 C ALA A 97 9.499 35.044 -13.510 1.00 0.00 C ATOM 1529 O ALA A 97 9.795 33.872 -13.638 1.00 0.00 O ATOM 1530 CB ALA A 97 11.868 35.708 -13.067 1.00 0.00 C ATOM 0 H ALA A 97 10.740 35.145 -10.820 1.00 0.00 H new ATOM 0 HA ALA A 97 10.172 37.034 -13.039 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.034 35.820 -14.138 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.512 36.401 -12.525 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.103 34.686 -12.769 1.00 0.00 H new ATOM 1536 N PHE A 98 8.399 35.523 -14.021 1.00 0.00 N ATOM 1537 CA PHE A 98 7.479 34.628 -14.778 1.00 0.00 C ATOM 1538 C PHE A 98 7.550 34.963 -16.268 1.00 0.00 C ATOM 1539 O PHE A 98 7.762 36.097 -16.650 1.00 0.00 O ATOM 1540 CB PHE A 98 6.047 34.830 -14.279 1.00 0.00 C ATOM 1541 CG PHE A 98 5.674 36.288 -14.400 1.00 0.00 C ATOM 1542 CD1 PHE A 98 5.190 36.788 -15.614 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.814 37.140 -13.297 1.00 0.00 C ATOM 1544 CE1 PHE A 98 4.846 38.140 -15.726 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.469 38.492 -13.410 1.00 0.00 C ATOM 1546 CZ PHE A 98 4.985 38.992 -14.624 1.00 0.00 C ATOM 0 H PHE A 98 8.097 36.495 -13.947 1.00 0.00 H new ATOM 0 HA PHE A 98 7.776 33.590 -14.625 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.358 34.218 -14.861 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.963 34.507 -13.241 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.082 36.131 -16.464 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.188 36.754 -12.360 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.473 38.526 -16.663 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.576 39.149 -12.560 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.719 40.035 -14.711 1.00 0.00 H new ATOM 1556 N SER A 99 7.372 33.986 -17.114 1.00 0.00 N ATOM 1557 CA SER A 99 7.428 34.250 -18.580 1.00 0.00 C ATOM 1558 C SER A 99 6.015 34.178 -19.159 1.00 0.00 C ATOM 1559 O SER A 99 5.089 33.742 -18.505 1.00 0.00 O ATOM 1560 CB SER A 99 8.311 33.199 -19.255 1.00 0.00 C ATOM 1561 OG SER A 99 8.687 33.657 -20.545 1.00 0.00 O ATOM 0 H SER A 99 7.190 33.017 -16.854 1.00 0.00 H new ATOM 0 HA SER A 99 7.846 35.241 -18.758 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.199 33.011 -18.651 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.774 32.254 -19.335 1.00 0.00 H new ATOM 0 HG SER A 99 9.254 32.985 -20.978 1.00 0.00 H new ATOM 1567 N ILE A 100 5.840 34.597 -20.381 1.00 0.00 N ATOM 1568 CA ILE A 100 4.482 34.545 -20.989 1.00 0.00 C ATOM 1569 C ILE A 100 4.416 33.378 -21.976 1.00 0.00 C ATOM 1570 O ILE A 100 5.321 33.161 -22.757 1.00 0.00 O ATOM 1571 CB ILE A 100 4.195 35.856 -21.723 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.384 37.033 -20.762 1.00 0.00 C ATOM 1573 CG2 ILE A 100 2.755 35.846 -22.242 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.220 37.077 -19.771 1.00 0.00 C ATOM 0 H ILE A 100 6.574 34.971 -20.982 1.00 0.00 H new ATOM 0 HA ILE A 100 3.737 34.404 -20.206 1.00 0.00 H new ATOM 0 HB ILE A 100 4.883 35.960 -22.562 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.328 36.930 -20.226 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.435 37.967 -21.321 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.550 36.780 -22.765 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.621 35.009 -22.928 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.067 35.741 -21.403 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.356 37.915 -19.087 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.284 37.200 -20.315 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.190 36.147 -19.203 1.00 0.00 H new ATOM 1586 N GLY A 101 3.351 32.625 -21.949 1.00 0.00 N ATOM 1587 CA GLY A 101 3.230 31.475 -22.888 1.00 0.00 C ATOM 1588 C GLY A 101 3.662 30.187 -22.182 1.00 0.00 C ATOM 1589 O GLY A 101 3.700 29.128 -22.776 1.00 0.00 O ATOM 0 H GLY A 101 2.560 32.756 -21.318 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.201 31.383 -23.236 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.850 31.645 -23.768 1.00 0.00 H new ATOM 1593 N LYS A 102 3.984 30.264 -20.918 1.00 0.00 N ATOM 1594 CA LYS A 102 4.407 29.036 -20.188 1.00 0.00 C ATOM 1595 C LYS A 102 3.414 28.756 -19.058 1.00 0.00 C ATOM 1596 O LYS A 102 2.915 29.663 -18.422 1.00 0.00 O ATOM 1597 CB LYS A 102 5.806 29.240 -19.604 1.00 0.00 C ATOM 1598 CG LYS A 102 6.401 27.884 -19.219 1.00 0.00 C ATOM 1599 CD LYS A 102 7.658 28.099 -18.373 1.00 0.00 C ATOM 1600 CE LYS A 102 8.358 26.756 -18.151 1.00 0.00 C ATOM 1601 NZ LYS A 102 9.444 26.923 -17.145 1.00 0.00 N ATOM 0 H LYS A 102 3.972 31.120 -20.363 1.00 0.00 H new ATOM 0 HA LYS A 102 4.427 28.191 -20.876 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.447 29.737 -20.333 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.756 29.888 -18.729 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.670 27.300 -18.661 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.646 27.315 -20.116 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.332 28.794 -18.873 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.393 28.546 -17.415 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.640 26.012 -17.807 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.771 26.389 -19.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.920 26.011 -16.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.134 27.620 -17.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.037 27.255 -16.247 1.00 0.00 H new ATOM 1615 N THR A 103 3.117 27.509 -18.800 1.00 0.00 N ATOM 1616 CA THR A 103 2.154 27.197 -17.711 1.00 0.00 C ATOM 1617 C THR A 103 2.873 27.310 -16.366 1.00 0.00 C ATOM 1618 O THR A 103 4.071 27.514 -16.317 1.00 0.00 O ATOM 1619 CB THR A 103 1.626 25.772 -17.888 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.307 25.553 -19.255 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.372 25.579 -17.033 1.00 0.00 C ATOM 0 H THR A 103 3.498 26.701 -19.293 1.00 0.00 H new ATOM 0 HA THR A 103 1.319 27.897 -17.745 1.00 0.00 H new ATOM 0 HB THR A 103 2.390 25.061 -17.574 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.970 24.640 -19.370 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.003 24.563 -17.161 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.617 25.746 -15.984 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.394 26.290 -17.344 1.00 0.00 H new ATOM 1629 N TYR A 104 2.177 27.166 -15.273 1.00 0.00 N ATOM 1630 CA TYR A 104 2.855 27.255 -13.953 1.00 0.00 C ATOM 1631 C TYR A 104 1.983 26.571 -12.899 1.00 0.00 C ATOM 1632 O TYR A 104 1.052 27.151 -12.379 1.00 0.00 O ATOM 1633 CB TYR A 104 3.070 28.722 -13.583 1.00 0.00 C ATOM 1634 CG TYR A 104 4.335 29.213 -14.243 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.578 28.752 -13.797 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.264 30.126 -15.302 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.753 29.203 -14.411 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.438 30.577 -15.916 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.683 30.116 -15.471 1.00 0.00 C ATOM 1640 OH TYR A 104 7.840 30.561 -16.076 1.00 0.00 O ATOM 0 H TYR A 104 1.173 26.991 -15.238 1.00 0.00 H new ATOM 0 HA TYR A 104 3.825 26.759 -14.000 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.219 29.321 -13.907 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.143 28.831 -12.501 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.632 28.048 -12.979 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.304 30.482 -15.645 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.713 28.847 -14.067 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.384 31.281 -16.733 1.00 0.00 H new ATOM 0 HH TYR A 104 7.619 30.990 -16.929 1.00 0.00 H new ATOM 1650 N LYS A 105 2.273 25.338 -12.591 1.00 0.00 N ATOM 1651 CA LYS A 105 1.452 24.610 -11.582 1.00 0.00 C ATOM 1652 C LYS A 105 2.143 24.660 -10.219 1.00 0.00 C ATOM 1653 O LYS A 105 3.333 24.881 -10.122 1.00 0.00 O ATOM 1654 CB LYS A 105 1.286 23.151 -12.012 1.00 0.00 C ATOM 1655 CG LYS A 105 1.307 23.060 -13.540 1.00 0.00 C ATOM 1656 CD LYS A 105 0.671 21.739 -13.979 1.00 0.00 C ATOM 1657 CE LYS A 105 1.769 20.711 -14.259 1.00 0.00 C ATOM 1658 NZ LYS A 105 1.148 19.400 -14.596 1.00 0.00 N ATOM 0 H LYS A 105 3.042 24.803 -12.994 1.00 0.00 H new ATOM 0 HA LYS A 105 0.473 25.084 -11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 105 2.087 22.544 -11.590 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.347 22.752 -11.627 1.00 0.00 H new ATOM 0 HG2 LYS A 105 0.763 23.900 -13.973 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.332 23.122 -13.905 1.00 0.00 H new ATOM 0 HD2 LYS A 105 0.002 21.369 -13.202 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.067 21.894 -14.873 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.398 21.050 -15.082 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.415 20.606 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.894 18.701 -14.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.566 19.076 -13.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.550 19.506 -15.440 1.00 0.00 H new ATOM 1672 N PRO A 106 1.369 24.443 -9.146 1.00 0.00 N ATOM 1673 CA PRO A 106 1.891 24.455 -7.774 1.00 0.00 C ATOM 1674 C PRO A 106 2.764 23.229 -7.490 1.00 0.00 C ATOM 1675 O PRO A 106 2.675 22.222 -8.164 1.00 0.00 O ATOM 1676 CB PRO A 106 0.630 24.409 -6.912 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.400 23.766 -7.779 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.079 24.170 -9.189 1.00 0.00 C ATOM 0 HA PRO A 106 2.523 25.322 -7.583 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.795 23.834 -6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.322 25.409 -6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.377 22.682 -7.671 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.402 24.093 -7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.317 23.377 -9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.645 25.051 -9.493 1.00 0.00 H new ATOM 1686 N GLU A 107 3.609 23.308 -6.499 1.00 0.00 N ATOM 1687 CA GLU A 107 4.486 22.147 -6.175 1.00 0.00 C ATOM 1688 C GLU A 107 4.564 21.974 -4.656 1.00 0.00 C ATOM 1689 O GLU A 107 4.352 22.905 -3.905 1.00 0.00 O ATOM 1690 CB GLU A 107 5.888 22.396 -6.733 1.00 0.00 C ATOM 1691 CG GLU A 107 5.810 22.564 -8.252 1.00 0.00 C ATOM 1692 CD GLU A 107 7.223 22.603 -8.835 1.00 0.00 C ATOM 1693 OE1 GLU A 107 8.159 22.728 -8.062 1.00 0.00 O ATOM 1694 OE2 GLU A 107 7.347 22.506 -10.045 1.00 0.00 O ATOM 0 H GLU A 107 3.730 24.125 -5.900 1.00 0.00 H new ATOM 0 HA GLU A 107 4.072 21.243 -6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.318 23.289 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.544 21.563 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.247 21.740 -8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.278 23.482 -8.500 1.00 0.00 H new ATOM 1701 N GLU A 108 4.865 20.788 -4.199 1.00 0.00 N ATOM 1702 CA GLU A 108 4.955 20.557 -2.730 1.00 0.00 C ATOM 1703 C GLU A 108 6.062 21.435 -2.142 1.00 0.00 C ATOM 1704 O GLU A 108 7.216 21.181 -2.444 1.00 0.00 O ATOM 1705 CB GLU A 108 5.276 19.085 -2.463 1.00 0.00 C ATOM 1706 CG GLU A 108 4.145 18.210 -3.008 1.00 0.00 C ATOM 1707 CD GLU A 108 4.459 16.739 -2.730 1.00 0.00 C ATOM 1708 OE1 GLU A 108 5.575 16.458 -2.324 1.00 0.00 O ATOM 1709 OE2 GLU A 108 3.579 15.917 -2.929 1.00 0.00 O ATOM 1710 OXT GLU A 108 5.736 22.347 -1.399 1.00 0.00 O ATOM 0 H GLU A 108 5.052 19.970 -4.780 1.00 0.00 H new ATOM 0 HA GLU A 108 4.003 20.811 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.220 18.816 -2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.398 18.916 -1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.200 18.486 -2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.030 18.372 -4.080 1.00 0.00 H new TER 1717 GLU A 108