USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 793 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 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 23 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 4 HIS : no HD1:sc= 0.593 K(o=0.27,f=-2.8!) USER MOD Set 2.2: A 6 HIS : no HD1:sc= -0.325 X(o=0.27,f=0.022) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.117 K(o=-0.12,f=-1.3) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 8 HIS : no HD1:sc= -0.0915 X(o=-0.092,f=-0.092) USER MOD Single : A 9 HIS : no HE2:sc= 0.107 K(o=0.11,f=-0.43) USER MOD Single : A 10 SER OG : rot -95:sc= 0.0584 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0389 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.172 F(o=-0.71,f=-0.17) USER MOD Single : A 26 THR OG1 : rot 71:sc= 0.465 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -100:sc= -0.257 USER MOD Single : A 44 LYS NZ :NH3+ -117:sc= 0.256 (180deg=-0.249) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc=-0.000204 X(o=-0.0002,f=-0.16) USER MOD Single : A 50 MET CE :methyl -105:sc= -2.66 (180deg=-4.81!) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0151) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -83:sc= -0.252 USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= 0.079 (180deg=0.0131) USER MOD Single : A 72 THR OG1 : rot 85:sc= 1.05 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 169:sc= 0.27 (180deg=0.24) USER MOD Single : A 78 HIS : no HD1:sc= -0.623 K(o=-0.62,f=-1.7!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -93:sc= 1.16 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 159:sc= -0.0395 (180deg=-0.289) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.517 -28.075 -12.930 1.00 0.00 N ATOM 2 CA GLY A 1 -26.981 -26.768 -13.470 1.00 0.00 C ATOM 3 C GLY A 1 -25.901 -26.052 -14.259 1.00 0.00 C ATOM 4 O GLY A 1 -25.531 -26.486 -15.350 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.290 -28.525 -12.399 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.230 -28.693 -13.716 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.706 -27.921 -12.297 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.848 -26.930 -14.110 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.307 -26.133 -12.646 1.00 0.00 H new ATOM 10 N SER A 2 -25.394 -24.956 -13.704 1.00 0.00 N ATOM 11 CA SER A 2 -24.349 -24.180 -14.360 1.00 0.00 C ATOM 12 C SER A 2 -23.105 -24.096 -13.482 1.00 0.00 C ATOM 13 O SER A 2 -21.981 -24.215 -13.970 1.00 0.00 O ATOM 14 CB SER A 2 -24.856 -22.774 -14.685 1.00 0.00 C ATOM 15 OG SER A 2 -25.336 -22.700 -16.016 1.00 0.00 O ATOM 0 H SER A 2 -25.690 -24.585 -12.801 1.00 0.00 H new ATOM 0 HA SER A 2 -24.083 -24.685 -15.289 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.652 -22.502 -13.992 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.051 -22.052 -14.545 1.00 0.00 H new ATOM 0 HG SER A 2 -25.656 -21.792 -16.198 1.00 0.00 H new ATOM 21 N SER A 3 -23.314 -23.894 -12.185 1.00 0.00 N ATOM 22 CA SER A 3 -22.210 -23.796 -11.237 1.00 0.00 C ATOM 23 C SER A 3 -22.344 -24.842 -10.136 1.00 0.00 C ATOM 24 O SER A 3 -23.389 -24.953 -9.495 1.00 0.00 O ATOM 25 CB SER A 3 -22.162 -22.395 -10.623 1.00 0.00 C ATOM 26 OG SER A 3 -23.322 -21.651 -10.956 1.00 0.00 O ATOM 0 H SER A 3 -24.239 -23.795 -11.766 1.00 0.00 H new ATOM 0 HA SER A 3 -21.282 -23.981 -11.777 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.075 -22.472 -9.539 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.275 -21.870 -10.977 1.00 0.00 H new ATOM 0 HG SER A 3 -23.267 -20.761 -10.550 1.00 0.00 H new ATOM 32 N HIS A 4 -21.277 -25.607 -9.922 1.00 0.00 N ATOM 33 CA HIS A 4 -21.274 -26.647 -8.899 1.00 0.00 C ATOM 34 C HIS A 4 -21.288 -26.038 -7.500 1.00 0.00 C ATOM 35 O HIS A 4 -20.562 -25.083 -7.221 1.00 0.00 O ATOM 36 CB HIS A 4 -20.050 -27.551 -9.061 1.00 0.00 C ATOM 37 CG HIS A 4 -18.785 -26.803 -9.352 1.00 0.00 C ATOM 38 ND1 HIS A 4 -18.508 -26.327 -10.611 1.00 0.00 N ATOM 39 CD2 HIS A 4 -17.764 -26.480 -8.521 1.00 0.00 C ATOM 40 CE1 HIS A 4 -17.334 -25.727 -10.521 1.00 0.00 C ATOM 41 NE2 HIS A 4 -16.846 -25.796 -9.274 1.00 0.00 N ATOM 0 H HIS A 4 -20.404 -25.526 -10.443 1.00 0.00 H new ATOM 0 HA HIS A 4 -22.177 -27.244 -9.025 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -19.916 -28.134 -8.150 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -20.237 -28.260 -9.868 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -17.689 -26.716 -7.470 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.832 -25.243 -11.346 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -15.959 -25.412 -8.948 1.00 0.00 H new ATOM 49 N HIS A 5 -22.119 -26.597 -6.625 1.00 0.00 N ATOM 50 CA HIS A 5 -22.230 -26.111 -5.255 1.00 0.00 C ATOM 51 C HIS A 5 -20.923 -26.321 -4.496 1.00 0.00 C ATOM 52 O HIS A 5 -20.370 -27.421 -4.488 1.00 0.00 O ATOM 53 CB HIS A 5 -23.374 -26.823 -4.529 1.00 0.00 C ATOM 54 CG HIS A 5 -24.726 -26.518 -5.096 1.00 0.00 C ATOM 55 ND1 HIS A 5 -25.063 -26.881 -6.378 1.00 0.00 N ATOM 56 CD2 HIS A 5 -25.782 -25.893 -4.520 1.00 0.00 C ATOM 57 CE1 HIS A 5 -26.307 -26.471 -6.556 1.00 0.00 C ATOM 58 NE2 HIS A 5 -26.782 -25.867 -5.457 1.00 0.00 N ATOM 0 H HIS A 5 -22.726 -27.388 -6.842 1.00 0.00 H new ATOM 0 HA HIS A 5 -22.441 -25.042 -5.292 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -23.206 -27.899 -4.571 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -23.358 -26.539 -3.477 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -25.827 -25.493 -3.518 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -26.868 -26.605 -7.469 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -27.712 -25.464 -5.340 1.00 0.00 H new ATOM 66 N HIS A 6 -20.436 -25.260 -3.859 1.00 0.00 N ATOM 67 CA HIS A 6 -19.194 -25.327 -3.101 1.00 0.00 C ATOM 68 C HIS A 6 -19.372 -24.735 -1.706 1.00 0.00 C ATOM 69 O HIS A 6 -19.624 -25.459 -0.742 1.00 0.00 O ATOM 70 CB HIS A 6 -18.079 -24.585 -3.844 1.00 0.00 C ATOM 71 CG HIS A 6 -17.136 -25.485 -4.584 1.00 0.00 C ATOM 72 ND1 HIS A 6 -15.991 -24.995 -5.168 1.00 0.00 N ATOM 73 CD2 HIS A 6 -17.210 -26.822 -4.809 1.00 0.00 C ATOM 74 CE1 HIS A 6 -15.398 -26.033 -5.729 1.00 0.00 C ATOM 75 NE2 HIS A 6 -16.099 -27.160 -5.537 1.00 0.00 N ATOM 0 H HIS A 6 -20.884 -24.344 -3.854 1.00 0.00 H new ATOM 0 HA HIS A 6 -18.918 -26.376 -2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -18.529 -23.887 -4.550 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -17.511 -23.991 -3.127 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -17.992 -27.489 -4.479 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -14.467 -25.981 -6.273 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -15.852 -28.092 -5.870 1.00 0.00 H new ATOM 83 N HIS A 7 -19.242 -23.415 -1.605 1.00 0.00 N ATOM 84 CA HIS A 7 -19.386 -22.725 -0.330 1.00 0.00 C ATOM 85 C HIS A 7 -20.214 -21.454 -0.489 1.00 0.00 C ATOM 86 O HIS A 7 -21.262 -21.301 0.141 1.00 0.00 O ATOM 87 CB HIS A 7 -18.011 -22.382 0.247 1.00 0.00 C ATOM 88 CG HIS A 7 -17.790 -22.916 1.626 1.00 0.00 C ATOM 89 ND1 HIS A 7 -16.934 -23.966 1.859 1.00 0.00 N ATOM 90 CD2 HIS A 7 -18.330 -22.516 2.803 1.00 0.00 C ATOM 91 CE1 HIS A 7 -16.971 -24.181 3.162 1.00 0.00 C ATOM 92 NE2 HIS A 7 -17.803 -23.326 3.774 1.00 0.00 N ATOM 0 H HIS A 7 -19.037 -22.802 -2.394 1.00 0.00 H new ATOM 0 HA HIS A 7 -19.905 -23.392 0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.240 -22.777 -0.414 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.893 -21.299 0.263 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.039 -21.714 2.947 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.404 -24.947 3.669 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -18.005 -23.286 4.773 1.00 0.00 H new ATOM 100 N HIS A 8 -19.737 -20.547 -1.335 1.00 0.00 N ATOM 101 CA HIS A 8 -20.431 -19.287 -1.580 1.00 0.00 C ATOM 102 C HIS A 8 -21.806 -19.531 -2.194 1.00 0.00 C ATOM 103 O HIS A 8 -21.918 -19.950 -3.346 1.00 0.00 O ATOM 104 CB HIS A 8 -19.601 -18.394 -2.506 1.00 0.00 C ATOM 105 CG HIS A 8 -18.151 -18.326 -2.138 1.00 0.00 C ATOM 106 ND1 HIS A 8 -17.738 -17.772 -0.949 1.00 0.00 N ATOM 107 CD2 HIS A 8 -17.065 -18.746 -2.832 1.00 0.00 C ATOM 108 CE1 HIS A 8 -16.421 -17.869 -0.943 1.00 0.00 C ATOM 109 NE2 HIS A 8 -15.970 -18.452 -2.063 1.00 0.00 N ATOM 0 H HIS A 8 -18.872 -20.661 -1.863 1.00 0.00 H new ATOM 0 HA HIS A 8 -20.564 -18.785 -0.622 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -19.690 -18.763 -3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -20.017 -17.387 -2.493 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -17.063 -19.220 -3.802 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -15.788 -17.523 -0.139 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.996 -18.641 -2.298 1.00 0.00 H new ATOM 117 N HIS A 9 -22.850 -19.262 -1.416 1.00 0.00 N ATOM 118 CA HIS A 9 -24.220 -19.445 -1.880 1.00 0.00 C ATOM 119 C HIS A 9 -24.682 -18.242 -2.695 1.00 0.00 C ATOM 120 O HIS A 9 -25.677 -18.312 -3.417 1.00 0.00 O ATOM 121 CB HIS A 9 -25.158 -19.659 -0.689 1.00 0.00 C ATOM 122 CG HIS A 9 -26.243 -20.658 -0.947 1.00 0.00 C ATOM 123 ND1 HIS A 9 -27.163 -20.473 -1.952 1.00 0.00 N ATOM 124 CD2 HIS A 9 -26.513 -21.822 -0.307 1.00 0.00 C ATOM 125 CE1 HIS A 9 -27.966 -21.521 -1.904 1.00 0.00 C ATOM 126 NE2 HIS A 9 -27.611 -22.364 -0.923 1.00 0.00 N ATOM 0 H HIS A 9 -22.772 -18.916 -0.460 1.00 0.00 H new ATOM 0 HA HIS A 9 -24.247 -20.327 -2.520 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -24.571 -19.987 0.169 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -25.612 -18.705 -0.420 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -27.215 -19.688 -2.601 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -25.969 -22.241 0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -28.802 -21.679 -2.570 1.00 0.00 H new ATOM 134 N SER A 10 -23.949 -17.139 -2.574 1.00 0.00 N ATOM 135 CA SER A 10 -24.283 -15.915 -3.295 1.00 0.00 C ATOM 136 C SER A 10 -23.797 -15.980 -4.739 1.00 0.00 C ATOM 137 O SER A 10 -22.765 -16.589 -5.031 1.00 0.00 O ATOM 138 CB SER A 10 -23.667 -14.704 -2.594 1.00 0.00 C ATOM 139 OG SER A 10 -23.807 -13.533 -3.379 1.00 0.00 O ATOM 0 H SER A 10 -23.120 -17.068 -1.984 1.00 0.00 H new ATOM 0 HA SER A 10 -25.368 -15.813 -3.301 1.00 0.00 H new ATOM 0 HB2 SER A 10 -24.148 -14.557 -1.627 1.00 0.00 H new ATOM 0 HB3 SER A 10 -22.611 -14.891 -2.400 1.00 0.00 H new ATOM 0 HG SER A 10 -22.996 -13.398 -3.912 1.00 0.00 H new ATOM 145 N SER A 11 -24.543 -15.345 -5.638 1.00 0.00 N ATOM 146 CA SER A 11 -24.191 -15.329 -7.054 1.00 0.00 C ATOM 147 C SER A 11 -22.910 -14.534 -7.291 1.00 0.00 C ATOM 148 O SER A 11 -21.829 -15.109 -7.427 1.00 0.00 O ATOM 149 CB SER A 11 -25.336 -14.733 -7.876 1.00 0.00 C ATOM 150 OG SER A 11 -26.587 -14.969 -7.255 1.00 0.00 O ATOM 0 H SER A 11 -25.396 -14.834 -5.411 1.00 0.00 H new ATOM 0 HA SER A 11 -24.019 -16.357 -7.372 1.00 0.00 H new ATOM 0 HB2 SER A 11 -25.182 -13.660 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 11 -25.335 -15.168 -8.875 1.00 0.00 H new ATOM 0 HG SER A 11 -27.301 -14.577 -7.799 1.00 0.00 H new ATOM 156 N GLY A 12 -23.039 -13.212 -7.341 1.00 0.00 N ATOM 157 CA GLY A 12 -21.886 -12.360 -7.565 1.00 0.00 C ATOM 158 C GLY A 12 -21.097 -12.103 -6.297 1.00 0.00 C ATOM 159 O GLY A 12 -21.302 -12.774 -5.284 1.00 0.00 O ATOM 0 H GLY A 12 -23.923 -12.715 -7.230 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -21.235 -12.823 -8.306 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -22.217 -11.409 -7.982 1.00 0.00 H new ATOM 163 N LEU A 13 -20.195 -11.129 -6.353 1.00 0.00 N ATOM 164 CA LEU A 13 -19.369 -10.783 -5.201 1.00 0.00 C ATOM 165 C LEU A 13 -20.032 -9.693 -4.363 1.00 0.00 C ATOM 166 O LEU A 13 -19.355 -8.840 -3.789 1.00 0.00 O ATOM 167 CB LEU A 13 -17.988 -10.316 -5.665 1.00 0.00 C ATOM 168 CG LEU A 13 -16.810 -11.104 -5.089 1.00 0.00 C ATOM 169 CD1 LEU A 13 -16.573 -12.374 -5.893 1.00 0.00 C ATOM 170 CD2 LEU A 13 -15.556 -10.244 -5.062 1.00 0.00 C ATOM 0 H LEU A 13 -20.017 -10.565 -7.184 1.00 0.00 H new ATOM 0 HA LEU A 13 -19.258 -11.673 -4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -17.948 -10.375 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -17.868 -9.266 -5.398 1.00 0.00 H new ATOM 0 HG LEU A 13 -17.053 -11.388 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -15.731 -12.921 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -17.466 -12.998 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -16.352 -12.113 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.728 -10.821 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -15.309 -9.929 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -15.731 -9.365 -4.441 1.00 0.00 H new ATOM 182 N VAL A 14 -21.360 -9.727 -4.300 1.00 0.00 N ATOM 183 CA VAL A 14 -22.115 -8.740 -3.535 1.00 0.00 C ATOM 184 C VAL A 14 -22.038 -9.027 -2.037 1.00 0.00 C ATOM 185 O VAL A 14 -22.026 -10.186 -1.622 1.00 0.00 O ATOM 186 CB VAL A 14 -23.595 -8.705 -3.961 1.00 0.00 C ATOM 187 CG1 VAL A 14 -23.755 -7.964 -5.281 1.00 0.00 C ATOM 188 CG2 VAL A 14 -24.157 -10.114 -4.061 1.00 0.00 C ATOM 0 H VAL A 14 -21.935 -10.427 -4.769 1.00 0.00 H new ATOM 0 HA VAL A 14 -21.662 -7.770 -3.743 1.00 0.00 H new ATOM 0 HB VAL A 14 -24.159 -8.168 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -24.807 -7.950 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -23.395 -6.941 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -23.177 -8.470 -6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -25.203 -10.068 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -23.590 -10.680 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -24.081 -10.606 -3.091 1.00 0.00 H new ATOM 198 N PRO A 15 -21.989 -7.973 -1.198 1.00 0.00 N ATOM 199 CA PRO A 15 -22.006 -6.576 -1.643 1.00 0.00 C ATOM 200 C PRO A 15 -20.660 -6.137 -2.210 1.00 0.00 C ATOM 201 O PRO A 15 -19.642 -6.797 -1.997 1.00 0.00 O ATOM 202 CB PRO A 15 -22.331 -5.782 -0.365 1.00 0.00 C ATOM 203 CG PRO A 15 -22.616 -6.803 0.693 1.00 0.00 C ATOM 204 CD PRO A 15 -21.923 -8.062 0.262 1.00 0.00 C ATOM 0 HA PRO A 15 -22.726 -6.419 -2.446 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -21.494 -5.145 -0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -23.190 -5.129 -0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -22.249 -6.470 1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -23.689 -6.966 0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -20.894 -8.103 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -22.427 -8.952 0.638 1.00 0.00 H new ATOM 212 N ARG A 16 -20.660 -5.020 -2.930 1.00 0.00 N ATOM 213 CA ARG A 16 -19.438 -4.493 -3.527 1.00 0.00 C ATOM 214 C ARG A 16 -18.623 -3.713 -2.497 1.00 0.00 C ATOM 215 O ARG A 16 -18.673 -4.010 -1.303 1.00 0.00 O ATOM 216 CB ARG A 16 -19.776 -3.599 -4.724 1.00 0.00 C ATOM 217 CG ARG A 16 -19.707 -4.319 -6.060 1.00 0.00 C ATOM 218 CD ARG A 16 -21.049 -4.924 -6.438 1.00 0.00 C ATOM 219 NE ARG A 16 -21.123 -5.249 -7.860 1.00 0.00 N ATOM 220 CZ ARG A 16 -20.820 -6.442 -8.361 1.00 0.00 C ATOM 221 NH1 ARG A 16 -20.424 -7.423 -7.559 1.00 0.00 N ATOM 222 NH2 ARG A 16 -20.914 -6.657 -9.666 1.00 0.00 N ATOM 0 H ARG A 16 -21.493 -4.462 -3.114 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.836 -5.333 -3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.779 -3.192 -4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.089 -2.753 -4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -19.391 -3.621 -6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -18.953 -5.105 -6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.218 -5.827 -5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.846 -4.225 -6.184 1.00 0.00 H new ATOM 0 HE ARG A 16 -21.424 -4.519 -8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -20.351 -7.262 -6.554 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -20.192 -8.337 -7.947 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -21.219 -5.907 -10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -20.681 -7.573 -10.050 1.00 0.00 H new ATOM 236 N GLY A 17 -17.869 -2.718 -2.963 1.00 0.00 N ATOM 237 CA GLY A 17 -17.055 -1.920 -2.064 1.00 0.00 C ATOM 238 C GLY A 17 -17.883 -0.981 -1.208 1.00 0.00 C ATOM 239 O GLY A 17 -18.993 -0.604 -1.584 1.00 0.00 O ATOM 0 H GLY A 17 -17.809 -2.452 -3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.478 -2.582 -1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.339 -1.339 -2.646 1.00 0.00 H new ATOM 243 N SER A 18 -17.339 -0.601 -0.056 1.00 0.00 N ATOM 244 CA SER A 18 -18.032 0.300 0.859 1.00 0.00 C ATOM 245 C SER A 18 -18.044 1.725 0.316 1.00 0.00 C ATOM 246 O SER A 18 -19.067 2.204 -0.177 1.00 0.00 O ATOM 247 CB SER A 18 -17.365 0.271 2.236 1.00 0.00 C ATOM 248 OG SER A 18 -18.146 -0.458 3.168 1.00 0.00 O ATOM 0 H SER A 18 -16.420 -0.903 0.266 1.00 0.00 H new ATOM 0 HA SER A 18 -19.063 -0.040 0.954 1.00 0.00 H new ATOM 0 HB2 SER A 18 -16.376 -0.180 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 18 -17.222 1.290 2.595 1.00 0.00 H new ATOM 0 HG SER A 18 -17.696 -0.462 4.039 1.00 0.00 H new ATOM 254 N HIS A 19 -16.902 2.401 0.411 1.00 0.00 N ATOM 255 CA HIS A 19 -16.782 3.772 -0.069 1.00 0.00 C ATOM 256 C HIS A 19 -16.331 3.800 -1.529 1.00 0.00 C ATOM 257 O HIS A 19 -16.610 2.872 -2.289 1.00 0.00 O ATOM 258 CB HIS A 19 -15.795 4.550 0.805 1.00 0.00 C ATOM 259 CG HIS A 19 -16.456 5.506 1.750 1.00 0.00 C ATOM 260 ND1 HIS A 19 -17.009 6.684 1.307 1.00 0.00 N ATOM 261 CD2 HIS A 19 -16.621 5.415 3.094 1.00 0.00 C ATOM 262 CE1 HIS A 19 -17.497 7.280 2.381 1.00 0.00 C ATOM 263 NE2 HIS A 19 -17.285 6.548 3.484 1.00 0.00 N ATOM 0 H HIS A 19 -16.047 2.020 0.816 1.00 0.00 H new ATOM 0 HA HIS A 19 -17.762 4.245 -0.006 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -15.194 3.843 1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -15.110 5.103 0.162 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -16.293 4.607 3.731 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -18.002 8.235 2.371 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -17.565 6.789 4.435 1.00 0.00 H new ATOM 271 N MET A 20 -15.633 4.867 -1.918 1.00 0.00 N ATOM 272 CA MET A 20 -15.152 5.008 -3.288 1.00 0.00 C ATOM 273 C MET A 20 -14.033 4.012 -3.580 1.00 0.00 C ATOM 274 O MET A 20 -14.278 2.926 -4.108 1.00 0.00 O ATOM 275 CB MET A 20 -14.660 6.437 -3.534 1.00 0.00 C ATOM 276 CG MET A 20 -15.591 7.506 -2.985 1.00 0.00 C ATOM 277 SD MET A 20 -15.385 9.098 -3.805 1.00 0.00 S ATOM 278 CE MET A 20 -14.213 9.894 -2.708 1.00 0.00 C ATOM 0 H MET A 20 -15.390 5.644 -1.303 1.00 0.00 H new ATOM 0 HA MET A 20 -15.983 4.797 -3.961 1.00 0.00 H new ATOM 0 HB2 MET A 20 -13.676 6.556 -3.080 1.00 0.00 H new ATOM 0 HB3 MET A 20 -14.537 6.590 -4.606 1.00 0.00 H new ATOM 0 HG2 MET A 20 -16.623 7.175 -3.098 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.409 7.626 -1.917 1.00 0.00 H new ATOM 0 HE1 MET A 20 -13.985 10.892 -3.082 1.00 0.00 H new ATOM 0 HE2 MET A 20 -14.643 9.970 -1.709 1.00 0.00 H new ATOM 0 HE3 MET A 20 -13.297 9.304 -2.664 1.00 0.00 H new ATOM 288 N ALA A 21 -12.803 4.391 -3.244 1.00 0.00 N ATOM 289 CA ALA A 21 -11.647 3.532 -3.476 1.00 0.00 C ATOM 290 C ALA A 21 -11.423 2.579 -2.307 1.00 0.00 C ATOM 291 O ALA A 21 -11.984 2.763 -1.227 1.00 0.00 O ATOM 292 CB ALA A 21 -10.405 4.375 -3.717 1.00 0.00 C ATOM 0 H ALA A 21 -12.582 5.287 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.845 2.932 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.550 3.722 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.559 5.008 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.215 5.000 -2.845 1.00 0.00 H new ATOM 298 N LYS A 22 -10.600 1.559 -2.533 1.00 0.00 N ATOM 299 CA LYS A 22 -10.292 0.579 -1.497 1.00 0.00 C ATOM 300 C LYS A 22 -9.056 0.997 -0.705 1.00 0.00 C ATOM 301 O LYS A 22 -7.982 0.413 -0.858 1.00 0.00 O ATOM 302 CB LYS A 22 -10.070 -0.802 -2.119 1.00 0.00 C ATOM 303 CG LYS A 22 -10.952 -1.079 -3.325 1.00 0.00 C ATOM 304 CD LYS A 22 -10.327 -2.116 -4.244 1.00 0.00 C ATOM 305 CE LYS A 22 -11.099 -2.244 -5.547 1.00 0.00 C ATOM 306 NZ LYS A 22 -10.315 -2.961 -6.589 1.00 0.00 N ATOM 0 H LYS A 22 -10.134 1.390 -3.425 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.141 0.529 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.025 -0.893 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.254 -1.565 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.929 -1.429 -2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.117 -0.154 -3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.295 -1.839 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.300 -3.082 -3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.033 -2.776 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.364 -1.251 -5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.877 -3.027 -7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.436 -2.440 -6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.084 -3.918 -6.253 1.00 0.00 H new ATOM 320 N TYR A 23 -9.212 2.013 0.136 1.00 0.00 N ATOM 321 CA TYR A 23 -8.107 2.509 0.949 1.00 0.00 C ATOM 322 C TYR A 23 -8.047 1.782 2.288 1.00 0.00 C ATOM 323 O TYR A 23 -7.773 2.388 3.324 1.00 0.00 O ATOM 324 CB TYR A 23 -8.242 4.017 1.174 1.00 0.00 C ATOM 325 CG TYR A 23 -9.636 4.456 1.565 1.00 0.00 C ATOM 326 CD1 TYR A 23 -10.028 4.481 2.898 1.00 0.00 C ATOM 327 CD2 TYR A 23 -10.554 4.853 0.603 1.00 0.00 C ATOM 328 CE1 TYR A 23 -11.300 4.883 3.259 1.00 0.00 C ATOM 329 CE2 TYR A 23 -11.828 5.256 0.956 1.00 0.00 C ATOM 330 CZ TYR A 23 -12.196 5.269 2.284 1.00 0.00 C ATOM 331 OH TYR A 23 -13.462 5.672 2.641 1.00 0.00 O ATOM 0 H TYR A 23 -10.092 2.509 0.273 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.179 2.315 0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.544 4.322 1.953 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.950 4.538 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.328 4.182 3.664 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.268 4.847 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.591 4.895 4.299 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.532 5.559 0.195 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.792 6.328 1.992 1.00 0.00 H new ATOM 341 N GLN A 24 -8.301 0.477 2.259 1.00 0.00 N ATOM 342 CA GLN A 24 -8.266 -0.338 3.467 1.00 0.00 C ATOM 343 C GLN A 24 -6.841 -0.786 3.770 1.00 0.00 C ATOM 344 O GLN A 24 -6.540 -1.980 3.782 1.00 0.00 O ATOM 345 CB GLN A 24 -9.180 -1.555 3.314 1.00 0.00 C ATOM 346 CG GLN A 24 -10.625 -1.285 3.704 1.00 0.00 C ATOM 347 CD GLN A 24 -11.482 -0.881 2.520 1.00 0.00 C ATOM 348 OE1 GLN A 24 -11.352 -1.609 1.418 1.00 0.00 O flip ATOM 349 NE2 GLN A 24 -12.254 0.075 2.595 1.00 0.00 N flip ATOM 0 H GLN A 24 -8.534 -0.039 1.410 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.624 0.267 4.300 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.149 -1.894 2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.793 -2.369 3.927 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -11.046 -2.178 4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.654 -0.495 4.455 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.323 0.608 3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.825 0.334 1.790 1.00 0.00 H new ATOM 358 N VAL A 25 -5.963 0.185 3.994 1.00 0.00 N ATOM 359 CA VAL A 25 -4.563 -0.095 4.288 1.00 0.00 C ATOM 360 C VAL A 25 -4.353 -0.359 5.774 1.00 0.00 C ATOM 361 O VAL A 25 -5.094 0.150 6.615 1.00 0.00 O ATOM 362 CB VAL A 25 -3.658 1.068 3.850 1.00 0.00 C ATOM 363 CG1 VAL A 25 -2.197 0.645 3.849 1.00 0.00 C ATOM 364 CG2 VAL A 25 -4.073 1.579 2.481 1.00 0.00 C ATOM 0 H VAL A 25 -6.198 1.177 3.977 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.293 -0.989 3.725 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.773 1.880 4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.576 1.484 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.908 0.334 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.059 -0.186 3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.422 2.402 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.991 0.773 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.104 1.929 2.521 1.00 0.00 H new ATOM 374 N THR A 26 -3.326 -1.139 6.094 1.00 0.00 N ATOM 375 CA THR A 26 -3.011 -1.458 7.481 1.00 0.00 C ATOM 376 C THR A 26 -1.879 -0.573 7.994 1.00 0.00 C ATOM 377 O THR A 26 -2.066 0.208 8.926 1.00 0.00 O ATOM 378 CB THR A 26 -2.627 -2.932 7.614 1.00 0.00 C ATOM 379 OG1 THR A 26 -2.926 -3.636 6.421 1.00 0.00 O ATOM 380 CG2 THR A 26 -3.335 -3.633 8.753 1.00 0.00 C ATOM 0 H THR A 26 -2.697 -1.562 5.411 1.00 0.00 H new ATOM 0 HA THR A 26 -3.899 -1.269 8.085 1.00 0.00 H new ATOM 0 HB THR A 26 -1.556 -2.937 7.817 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.299 -3.368 5.717 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.018 -4.675 8.792 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.085 -3.142 9.694 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.412 -3.587 8.595 1.00 0.00 H new ATOM 388 N LYS A 27 -0.708 -0.687 7.369 1.00 0.00 N ATOM 389 CA LYS A 27 0.444 0.120 7.756 1.00 0.00 C ATOM 390 C LYS A 27 0.851 1.060 6.626 1.00 0.00 C ATOM 391 O LYS A 27 0.520 0.829 5.464 1.00 0.00 O ATOM 392 CB LYS A 27 1.620 -0.776 8.142 1.00 0.00 C ATOM 393 CG LYS A 27 2.409 -0.267 9.335 1.00 0.00 C ATOM 394 CD LYS A 27 2.009 -0.980 10.616 1.00 0.00 C ATOM 395 CE LYS A 27 3.030 -0.758 11.721 1.00 0.00 C ATOM 396 NZ LYS A 27 2.399 -0.228 12.961 1.00 0.00 N ATOM 0 H LYS A 27 -0.534 -1.329 6.595 1.00 0.00 H new ATOM 0 HA LYS A 27 0.161 0.720 8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.246 -1.775 8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.290 -0.869 7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.474 -0.411 9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.247 0.805 9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.033 -0.621 10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.907 -2.048 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.534 -1.698 11.944 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.793 -0.061 11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.128 -0.090 13.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.939 0.682 12.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.688 -0.905 13.306 1.00 0.00 H new ATOM 410 N THR A 28 1.553 2.134 6.975 1.00 0.00 N ATOM 411 CA THR A 28 1.996 3.114 5.989 1.00 0.00 C ATOM 412 C THR A 28 3.449 3.513 6.227 1.00 0.00 C ATOM 413 O THR A 28 3.812 3.942 7.322 1.00 0.00 O ATOM 414 CB THR A 28 1.099 4.354 6.034 1.00 0.00 C ATOM 415 OG1 THR A 28 -0.257 3.998 5.826 1.00 0.00 O ATOM 416 CG2 THR A 28 1.464 5.399 5.001 1.00 0.00 C ATOM 0 H THR A 28 1.827 2.348 7.934 1.00 0.00 H new ATOM 0 HA THR A 28 1.924 2.656 5.003 1.00 0.00 H new ATOM 0 HB THR A 28 1.249 4.782 7.025 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.815 4.803 5.860 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.788 6.250 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.489 5.731 5.166 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.378 4.970 4.003 1.00 0.00 H new ATOM 424 N LEU A 29 4.274 3.381 5.191 1.00 0.00 N ATOM 425 CA LEU A 29 5.682 3.733 5.286 1.00 0.00 C ATOM 426 C LEU A 29 5.976 5.019 4.521 1.00 0.00 C ATOM 427 O LEU A 29 5.771 5.093 3.309 1.00 0.00 O ATOM 428 CB LEU A 29 6.550 2.596 4.745 1.00 0.00 C ATOM 429 CG LEU A 29 8.032 2.690 5.106 1.00 0.00 C ATOM 430 CD1 LEU A 29 8.589 1.316 5.441 1.00 0.00 C ATOM 431 CD2 LEU A 29 8.815 3.324 3.967 1.00 0.00 C ATOM 0 H LEU A 29 3.988 3.032 4.276 1.00 0.00 H new ATOM 0 HA LEU A 29 5.919 3.895 6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.159 1.650 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.456 2.572 3.659 1.00 0.00 H new ATOM 0 HG LEU A 29 8.134 3.322 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.645 1.404 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.045 0.900 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.477 0.658 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.869 3.384 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.706 2.717 3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.432 4.326 3.776 1.00 0.00 H new ATOM 443 N ASP A 30 6.457 6.029 5.238 1.00 0.00 N ATOM 444 CA ASP A 30 6.789 7.313 4.632 1.00 0.00 C ATOM 445 C ASP A 30 8.240 7.681 4.921 1.00 0.00 C ATOM 446 O ASP A 30 8.615 7.898 6.073 1.00 0.00 O ATOM 447 CB ASP A 30 5.856 8.405 5.159 1.00 0.00 C ATOM 448 CG ASP A 30 6.233 9.784 4.653 1.00 0.00 C ATOM 449 OD1 ASP A 30 6.557 9.908 3.453 1.00 0.00 O ATOM 450 OD2 ASP A 30 6.206 10.739 5.457 1.00 0.00 O ATOM 0 H ASP A 30 6.626 5.983 6.243 1.00 0.00 H new ATOM 0 HA ASP A 30 6.659 7.228 3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.832 8.179 4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.878 8.403 6.249 1.00 0.00 H new ATOM 455 N VAL A 31 9.059 7.725 3.873 1.00 0.00 N ATOM 456 CA VAL A 31 10.473 8.048 4.028 1.00 0.00 C ATOM 457 C VAL A 31 10.970 8.945 2.898 1.00 0.00 C ATOM 458 O VAL A 31 11.708 8.502 2.017 1.00 0.00 O ATOM 459 CB VAL A 31 11.339 6.774 4.082 1.00 0.00 C ATOM 460 CG1 VAL A 31 11.222 6.106 5.444 1.00 0.00 C ATOM 461 CG2 VAL A 31 10.948 5.808 2.973 1.00 0.00 C ATOM 0 H VAL A 31 8.769 7.542 2.912 1.00 0.00 H new ATOM 0 HA VAL A 31 10.568 8.583 4.973 1.00 0.00 H new ATOM 0 HB VAL A 31 12.379 7.061 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.840 5.208 5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.559 6.796 6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.182 5.835 5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.572 4.916 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.901 5.526 3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.090 6.289 2.005 1.00 0.00 H new ATOM 471 N ARG A 32 10.584 10.216 2.942 1.00 0.00 N ATOM 472 CA ARG A 32 11.004 11.179 1.928 1.00 0.00 C ATOM 473 C ARG A 32 12.516 11.393 1.974 1.00 0.00 C ATOM 474 O ARG A 32 13.247 10.589 2.552 1.00 0.00 O ATOM 475 CB ARG A 32 10.280 12.512 2.132 1.00 0.00 C ATOM 476 CG ARG A 32 10.428 13.078 3.535 1.00 0.00 C ATOM 477 CD ARG A 32 9.096 13.107 4.268 1.00 0.00 C ATOM 478 NE ARG A 32 9.215 13.706 5.596 1.00 0.00 N ATOM 479 CZ ARG A 32 9.277 15.017 5.810 1.00 0.00 C ATOM 480 NH1 ARG A 32 9.231 15.863 4.789 1.00 0.00 N ATOM 481 NH2 ARG A 32 9.385 15.483 7.046 1.00 0.00 N ATOM 0 H ARG A 32 9.982 10.604 3.668 1.00 0.00 H new ATOM 0 HA ARG A 32 10.743 10.778 0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.664 13.237 1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.221 12.377 1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.141 12.476 4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.836 14.087 3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.371 13.670 3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.711 12.091 4.361 1.00 0.00 H new ATOM 0 HE ARG A 32 9.253 13.084 6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.148 15.508 3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.279 16.868 4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.421 14.836 7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.433 16.489 7.210 1.00 0.00 H new ATOM 495 N GLY A 33 12.978 12.479 1.359 1.00 0.00 N ATOM 496 CA GLY A 33 14.400 12.777 1.343 1.00 0.00 C ATOM 497 C GLY A 33 14.983 12.894 2.739 1.00 0.00 C ATOM 498 O GLY A 33 14.936 13.960 3.351 1.00 0.00 O ATOM 0 H GLY A 33 12.393 13.158 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.926 11.994 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.567 13.709 0.803 1.00 0.00 H new ATOM 502 N GLU A 34 15.533 11.793 3.241 1.00 0.00 N ATOM 503 CA GLU A 34 16.122 11.768 4.574 1.00 0.00 C ATOM 504 C GLU A 34 17.645 11.814 4.500 1.00 0.00 C ATOM 505 O GLU A 34 18.219 11.985 3.424 1.00 0.00 O ATOM 506 CB GLU A 34 15.672 10.513 5.324 1.00 0.00 C ATOM 507 CG GLU A 34 14.307 10.656 5.979 1.00 0.00 C ATOM 508 CD GLU A 34 13.794 9.350 6.552 1.00 0.00 C ATOM 509 OE1 GLU A 34 13.622 8.387 5.774 1.00 0.00 O ATOM 510 OE2 GLU A 34 13.563 9.290 7.777 1.00 0.00 O ATOM 0 H GLU A 34 15.583 10.904 2.743 1.00 0.00 H new ATOM 0 HA GLU A 34 15.779 12.651 5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.647 9.673 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.410 10.272 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.366 11.399 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.594 11.031 5.245 1.00 0.00 H new ATOM 517 N VAL A 35 18.293 11.655 5.649 1.00 0.00 N ATOM 518 CA VAL A 35 19.753 11.695 5.718 1.00 0.00 C ATOM 519 C VAL A 35 20.347 10.300 5.884 1.00 0.00 C ATOM 520 O VAL A 35 20.721 9.655 4.903 1.00 0.00 O ATOM 521 CB VAL A 35 20.245 12.609 6.846 1.00 0.00 C ATOM 522 CG1 VAL A 35 21.646 13.118 6.547 1.00 0.00 C ATOM 523 CG2 VAL A 35 19.282 13.767 7.063 1.00 0.00 C ATOM 0 H VAL A 35 17.833 11.497 6.545 1.00 0.00 H new ATOM 0 HA VAL A 35 20.096 12.107 4.769 1.00 0.00 H new ATOM 0 HB VAL A 35 20.283 12.027 7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 35 21.979 13.765 7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.328 12.273 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 35 21.637 13.681 5.614 1.00 0.00 H new ATOM 0 HG21 VAL A 35 19.652 14.402 7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.204 14.352 6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.299 13.378 7.330 1.00 0.00 H new ATOM 533 N CYS A 36 20.445 9.848 7.126 1.00 0.00 N ATOM 534 CA CYS A 36 21.005 8.535 7.429 1.00 0.00 C ATOM 535 C CYS A 36 20.322 7.441 6.609 1.00 0.00 C ATOM 536 O CYS A 36 19.180 7.599 6.180 1.00 0.00 O ATOM 537 CB CYS A 36 20.858 8.234 8.923 1.00 0.00 C ATOM 538 SG CYS A 36 22.391 8.412 9.866 1.00 0.00 S ATOM 0 H CYS A 36 20.142 10.374 7.946 1.00 0.00 H new ATOM 0 HA CYS A 36 22.062 8.549 7.165 1.00 0.00 H new ATOM 0 HB2 CYS A 36 20.105 8.900 9.345 1.00 0.00 H new ATOM 0 HB3 CYS A 36 20.486 7.216 9.043 1.00 0.00 H new ATOM 0 HG CYS A 36 22.165 8.139 11.117 1.00 0.00 H new ATOM 544 N PRO A 37 21.013 6.304 6.385 1.00 0.00 N ATOM 545 CA PRO A 37 20.464 5.184 5.611 1.00 0.00 C ATOM 546 C PRO A 37 19.434 4.380 6.400 1.00 0.00 C ATOM 547 O PRO A 37 19.212 3.201 6.127 1.00 0.00 O ATOM 548 CB PRO A 37 21.695 4.330 5.315 1.00 0.00 C ATOM 549 CG PRO A 37 22.617 4.594 6.454 1.00 0.00 C ATOM 550 CD PRO A 37 22.386 6.027 6.857 1.00 0.00 C ATOM 0 HA PRO A 37 19.935 5.522 4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 37 21.438 3.273 5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 37 22.150 4.607 4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 37 22.413 3.918 7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 37 23.654 4.434 6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 37 22.474 6.159 7.935 1.00 0.00 H new ATOM 0 HD3 PRO A 37 23.112 6.696 6.394 1.00 0.00 H new ATOM 558 N VAL A 38 18.807 5.029 7.377 1.00 0.00 N ATOM 559 CA VAL A 38 17.799 4.380 8.209 1.00 0.00 C ATOM 560 C VAL A 38 16.622 3.856 7.376 1.00 0.00 C ATOM 561 O VAL A 38 16.213 2.707 7.541 1.00 0.00 O ATOM 562 CB VAL A 38 17.269 5.338 9.296 1.00 0.00 C ATOM 563 CG1 VAL A 38 16.263 4.631 10.193 1.00 0.00 C ATOM 564 CG2 VAL A 38 18.420 5.903 10.114 1.00 0.00 C ATOM 0 H VAL A 38 18.980 6.006 7.612 1.00 0.00 H new ATOM 0 HA VAL A 38 18.290 3.533 8.687 1.00 0.00 H new ATOM 0 HB VAL A 38 16.759 6.167 8.805 1.00 0.00 H new ATOM 0 HG11 VAL A 38 15.902 5.325 10.952 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.423 4.281 9.593 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.742 3.780 10.677 1.00 0.00 H new ATOM 0 HG21 VAL A 38 18.028 6.577 10.876 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.960 5.087 10.594 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.097 6.451 9.459 1.00 0.00 H new ATOM 574 N PRO A 39 16.050 4.685 6.474 1.00 0.00 N ATOM 575 CA PRO A 39 14.914 4.271 5.640 1.00 0.00 C ATOM 576 C PRO A 39 15.247 3.074 4.754 1.00 0.00 C ATOM 577 O PRO A 39 14.378 2.257 4.448 1.00 0.00 O ATOM 578 CB PRO A 39 14.615 5.506 4.781 1.00 0.00 C ATOM 579 CG PRO A 39 15.853 6.331 4.841 1.00 0.00 C ATOM 580 CD PRO A 39 16.449 6.076 6.194 1.00 0.00 C ATOM 0 HA PRO A 39 14.068 3.950 6.248 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.379 5.224 3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.756 6.056 5.167 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.548 6.052 4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.625 7.388 4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.533 6.191 6.186 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.060 6.766 6.943 1.00 0.00 H new ATOM 588 N ASP A 40 16.507 2.977 4.343 1.00 0.00 N ATOM 589 CA ASP A 40 16.951 1.881 3.486 1.00 0.00 C ATOM 590 C ASP A 40 16.824 0.541 4.204 1.00 0.00 C ATOM 591 O ASP A 40 16.141 -0.367 3.727 1.00 0.00 O ATOM 592 CB ASP A 40 18.399 2.102 3.046 1.00 0.00 C ATOM 593 CG ASP A 40 18.636 1.682 1.609 1.00 0.00 C ATOM 594 OD1 ASP A 40 18.492 0.478 1.311 1.00 0.00 O ATOM 595 OD2 ASP A 40 18.965 2.557 0.780 1.00 0.00 O ATOM 0 H ASP A 40 17.239 3.643 4.589 1.00 0.00 H new ATOM 0 HA ASP A 40 16.310 1.862 2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.654 3.156 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.065 1.540 3.701 1.00 0.00 H new ATOM 600 N VAL A 41 17.486 0.422 5.350 1.00 0.00 N ATOM 601 CA VAL A 41 17.449 -0.808 6.132 1.00 0.00 C ATOM 602 C VAL A 41 16.049 -1.067 6.681 1.00 0.00 C ATOM 603 O VAL A 41 15.714 -2.194 7.048 1.00 0.00 O ATOM 604 CB VAL A 41 18.448 -0.762 7.305 1.00 0.00 C ATOM 605 CG1 VAL A 41 18.671 -2.157 7.872 1.00 0.00 C ATOM 606 CG2 VAL A 41 19.767 -0.145 6.863 1.00 0.00 C ATOM 0 H VAL A 41 18.055 1.163 5.758 1.00 0.00 H new ATOM 0 HA VAL A 41 17.730 -1.618 5.459 1.00 0.00 H new ATOM 0 HB VAL A 41 18.025 -0.136 8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 41 19.379 -2.105 8.699 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.724 -2.560 8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.070 -2.807 7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 41 20.458 -0.122 7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 41 20.196 -0.742 6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 41 19.593 0.871 6.509 1.00 0.00 H new ATOM 616 N GLU A 42 15.236 -0.018 6.733 1.00 0.00 N ATOM 617 CA GLU A 42 13.873 -0.129 7.239 1.00 0.00 C ATOM 618 C GLU A 42 13.018 -1.005 6.328 1.00 0.00 C ATOM 619 O GLU A 42 12.595 -2.094 6.716 1.00 0.00 O ATOM 620 CB GLU A 42 13.242 1.258 7.369 1.00 0.00 C ATOM 621 CG GLU A 42 11.922 1.258 8.126 1.00 0.00 C ATOM 622 CD GLU A 42 11.455 2.654 8.485 1.00 0.00 C ATOM 623 OE1 GLU A 42 12.265 3.428 9.037 1.00 0.00 O ATOM 624 OE2 GLU A 42 10.278 2.975 8.214 1.00 0.00 O ATOM 0 H GLU A 42 15.498 0.920 6.430 1.00 0.00 H new ATOM 0 HA GLU A 42 13.917 -0.597 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.943 1.921 7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.080 1.669 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.160 0.769 7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.030 0.670 9.037 1.00 0.00 H new ATOM 631 N THR A 43 12.765 -0.520 5.116 1.00 0.00 N ATOM 632 CA THR A 43 11.950 -1.253 4.153 1.00 0.00 C ATOM 633 C THR A 43 12.572 -2.608 3.826 1.00 0.00 C ATOM 634 O THR A 43 11.864 -3.570 3.536 1.00 0.00 O ATOM 635 CB THR A 43 11.768 -0.434 2.874 1.00 0.00 C ATOM 636 OG1 THR A 43 10.745 -0.992 2.067 1.00 0.00 O ATOM 637 CG2 THR A 43 13.021 -0.339 2.029 1.00 0.00 C ATOM 0 H THR A 43 13.113 0.377 4.778 1.00 0.00 H new ATOM 0 HA THR A 43 10.973 -1.426 4.603 1.00 0.00 H new ATOM 0 HB THR A 43 11.508 0.569 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.148 -1.525 1.350 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.816 0.256 1.139 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.815 0.134 2.607 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.336 -1.339 1.732 1.00 0.00 H new ATOM 645 N LYS A 44 13.900 -2.674 3.877 1.00 0.00 N ATOM 646 CA LYS A 44 14.615 -3.913 3.591 1.00 0.00 C ATOM 647 C LYS A 44 14.120 -5.040 4.491 1.00 0.00 C ATOM 648 O LYS A 44 13.885 -6.157 4.031 1.00 0.00 O ATOM 649 CB LYS A 44 16.120 -3.715 3.784 1.00 0.00 C ATOM 650 CG LYS A 44 16.871 -3.466 2.486 1.00 0.00 C ATOM 651 CD LYS A 44 17.150 -4.763 1.744 1.00 0.00 C ATOM 652 CE LYS A 44 16.311 -4.875 0.482 1.00 0.00 C ATOM 653 NZ LYS A 44 16.972 -4.224 -0.682 1.00 0.00 N ATOM 0 H LYS A 44 14.501 -1.885 4.113 1.00 0.00 H new ATOM 0 HA LYS A 44 14.423 -4.186 2.553 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.284 -2.873 4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.535 -4.598 4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.288 -2.800 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.812 -2.959 2.701 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.207 -4.815 1.485 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.940 -5.610 2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.132 -5.926 0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.337 -4.415 0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.386 -3.432 -1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.906 -3.867 -0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.086 -4.917 -1.449 1.00 0.00 H new ATOM 667 N ARG A 45 13.954 -4.733 5.774 1.00 0.00 N ATOM 668 CA ARG A 45 13.475 -5.713 6.739 1.00 0.00 C ATOM 669 C ARG A 45 12.033 -6.105 6.440 1.00 0.00 C ATOM 670 O ARG A 45 11.639 -7.255 6.632 1.00 0.00 O ATOM 671 CB ARG A 45 13.582 -5.151 8.154 1.00 0.00 C ATOM 672 CG ARG A 45 13.330 -6.182 9.242 1.00 0.00 C ATOM 673 CD ARG A 45 11.898 -6.118 9.751 1.00 0.00 C ATOM 674 NE ARG A 45 11.827 -6.235 11.206 1.00 0.00 N ATOM 675 CZ ARG A 45 10.686 -6.265 11.888 1.00 0.00 C ATOM 676 NH1 ARG A 45 9.525 -6.188 11.250 1.00 0.00 N ATOM 677 NH2 ARG A 45 10.704 -6.374 13.209 1.00 0.00 N ATOM 0 H ARG A 45 14.145 -3.812 6.168 1.00 0.00 H new ATOM 0 HA ARG A 45 14.097 -6.604 6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.576 -4.726 8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.868 -4.335 8.266 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.535 -7.180 8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.019 -6.015 10.070 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.445 -5.176 9.441 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.315 -6.918 9.294 1.00 0.00 H new ATOM 0 HE ARG A 45 12.701 -6.297 11.727 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.506 -6.106 10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.651 -6.211 11.776 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.594 -6.435 13.704 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.828 -6.397 13.731 1.00 0.00 H new ATOM 691 N ALA A 46 11.248 -5.139 5.968 1.00 0.00 N ATOM 692 CA ALA A 46 9.849 -5.383 5.641 1.00 0.00 C ATOM 693 C ALA A 46 9.722 -6.369 4.483 1.00 0.00 C ATOM 694 O ALA A 46 8.811 -7.197 4.457 1.00 0.00 O ATOM 695 CB ALA A 46 9.151 -4.074 5.303 1.00 0.00 C ATOM 0 H ALA A 46 11.559 -4.181 5.804 1.00 0.00 H new ATOM 0 HA ALA A 46 9.367 -5.823 6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.107 -4.271 5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.204 -3.402 6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.641 -3.611 4.447 1.00 0.00 H new ATOM 701 N LEU A 47 10.644 -6.274 3.531 1.00 0.00 N ATOM 702 CA LEU A 47 10.639 -7.150 2.363 1.00 0.00 C ATOM 703 C LEU A 47 11.012 -8.579 2.745 1.00 0.00 C ATOM 704 O LEU A 47 10.440 -9.538 2.229 1.00 0.00 O ATOM 705 CB LEU A 47 11.612 -6.630 1.306 1.00 0.00 C ATOM 706 CG LEU A 47 11.076 -5.528 0.382 1.00 0.00 C ATOM 707 CD1 LEU A 47 10.167 -4.563 1.134 1.00 0.00 C ATOM 708 CD2 LEU A 47 12.232 -4.775 -0.260 1.00 0.00 C ATOM 0 H LEU A 47 11.407 -5.597 3.545 1.00 0.00 H new ATOM 0 HA LEU A 47 9.629 -7.154 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.500 -6.252 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.931 -7.470 0.689 1.00 0.00 H new ATOM 0 HG LEU A 47 10.482 -6.003 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.805 -3.796 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.319 -5.109 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.726 -4.093 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.840 -3.996 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.847 -4.322 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.838 -5.468 -0.844 1.00 0.00 H new ATOM 720 N GLN A 48 11.979 -8.713 3.645 1.00 0.00 N ATOM 721 CA GLN A 48 12.440 -10.026 4.081 1.00 0.00 C ATOM 722 C GLN A 48 11.484 -10.640 5.100 1.00 0.00 C ATOM 723 O GLN A 48 11.477 -11.855 5.298 1.00 0.00 O ATOM 724 CB GLN A 48 13.842 -9.922 4.683 1.00 0.00 C ATOM 725 CG GLN A 48 14.862 -10.820 4.002 1.00 0.00 C ATOM 726 CD GLN A 48 16.264 -10.629 4.546 1.00 0.00 C ATOM 727 OE1 GLN A 48 17.141 -10.098 3.863 1.00 0.00 O ATOM 728 NE2 GLN A 48 16.483 -11.061 5.783 1.00 0.00 N ATOM 0 H GLN A 48 12.459 -7.929 4.087 1.00 0.00 H new ATOM 0 HA GLN A 48 12.470 -10.676 3.206 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.180 -8.888 4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.794 -10.177 5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.566 -11.861 4.129 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.861 -10.617 2.931 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.727 -11.495 6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.407 -10.959 6.203 1.00 0.00 H new ATOM 737 N ASN A 49 10.688 -9.797 5.751 1.00 0.00 N ATOM 738 CA ASN A 49 9.741 -10.270 6.753 1.00 0.00 C ATOM 739 C ASN A 49 8.374 -9.612 6.582 1.00 0.00 C ATOM 740 O ASN A 49 7.958 -8.797 7.408 1.00 0.00 O ATOM 741 CB ASN A 49 10.277 -9.997 8.160 1.00 0.00 C ATOM 742 CG ASN A 49 9.696 -10.942 9.194 1.00 0.00 C ATOM 743 OD1 ASN A 49 9.716 -12.160 9.018 1.00 0.00 O ATOM 744 ND2 ASN A 49 9.170 -10.384 10.278 1.00 0.00 N ATOM 0 H ASN A 49 10.680 -8.788 5.603 1.00 0.00 H new ATOM 0 HA ASN A 49 9.621 -11.344 6.615 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.363 -10.090 8.156 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.046 -8.969 8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.761 -10.970 11.006 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.175 -9.369 10.383 1.00 0.00 H new ATOM 751 N MET A 50 7.671 -9.984 5.517 1.00 0.00 N ATOM 752 CA MET A 50 6.340 -9.446 5.255 1.00 0.00 C ATOM 753 C MET A 50 5.265 -10.456 5.643 1.00 0.00 C ATOM 754 O MET A 50 5.456 -11.663 5.501 1.00 0.00 O ATOM 755 CB MET A 50 6.195 -9.071 3.779 1.00 0.00 C ATOM 756 CG MET A 50 6.419 -10.233 2.830 1.00 0.00 C ATOM 757 SD MET A 50 6.416 -9.733 1.097 1.00 0.00 S ATOM 758 CE MET A 50 7.709 -8.495 1.094 1.00 0.00 C ATOM 0 H MET A 50 8.000 -10.655 4.822 1.00 0.00 H new ATOM 0 HA MET A 50 6.212 -8.549 5.861 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.197 -8.665 3.613 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.905 -8.279 3.543 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.371 -10.709 3.064 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.642 -10.981 2.989 1.00 0.00 H new ATOM 0 HE1 MET A 50 7.262 -7.502 1.037 1.00 0.00 H new ATOM 0 HE2 MET A 50 8.294 -8.578 2.010 1.00 0.00 H new ATOM 0 HE3 MET A 50 8.359 -8.650 0.233 1.00 0.00 H new ATOM 768 N LYS A 51 4.139 -9.954 6.140 1.00 0.00 N ATOM 769 CA LYS A 51 3.037 -10.815 6.552 1.00 0.00 C ATOM 770 C LYS A 51 2.206 -11.248 5.344 1.00 0.00 C ATOM 771 O LYS A 51 2.093 -10.509 4.368 1.00 0.00 O ATOM 772 CB LYS A 51 2.160 -10.091 7.571 1.00 0.00 C ATOM 773 CG LYS A 51 1.789 -10.938 8.777 1.00 0.00 C ATOM 774 CD LYS A 51 0.637 -10.325 9.556 1.00 0.00 C ATOM 775 CE LYS A 51 -0.211 -11.393 10.227 1.00 0.00 C ATOM 776 NZ LYS A 51 0.568 -12.174 11.228 1.00 0.00 N ATOM 0 H LYS A 51 3.966 -8.957 6.267 1.00 0.00 H new ATOM 0 HA LYS A 51 3.452 -11.710 7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.681 -9.197 7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.246 -9.758 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.514 -11.940 8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.656 -11.043 9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.029 -9.643 10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.015 -9.734 8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.064 -10.924 10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.610 -12.069 9.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.066 -12.834 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.317 -12.710 10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.998 -11.524 11.917 1.00 0.00 H new ATOM 790 N PRO A 52 1.625 -12.464 5.393 1.00 0.00 N ATOM 791 CA PRO A 52 0.833 -13.021 4.293 1.00 0.00 C ATOM 792 C PRO A 52 -0.056 -12.001 3.583 1.00 0.00 C ATOM 793 O PRO A 52 0.219 -11.622 2.448 1.00 0.00 O ATOM 794 CB PRO A 52 -0.018 -14.071 5.001 1.00 0.00 C ATOM 795 CG PRO A 52 0.854 -14.574 6.099 1.00 0.00 C ATOM 796 CD PRO A 52 1.728 -13.417 6.517 1.00 0.00 C ATOM 0 HA PRO A 52 1.470 -13.403 3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.939 -13.639 5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.305 -14.874 4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.255 -14.930 6.937 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.459 -15.414 5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.382 -12.972 7.450 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.758 -13.734 6.678 1.00 0.00 H new ATOM 804 N GLY A 53 -1.156 -11.616 4.226 1.00 0.00 N ATOM 805 CA GLY A 53 -2.095 -10.688 3.615 1.00 0.00 C ATOM 806 C GLY A 53 -1.996 -9.284 4.172 1.00 0.00 C ATOM 807 O GLY A 53 -2.969 -8.753 4.710 1.00 0.00 O ATOM 0 H GLY A 53 -1.415 -11.931 5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.918 -10.658 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.109 -11.059 3.761 1.00 0.00 H new ATOM 811 N GLU A 54 -0.825 -8.679 4.044 1.00 0.00 N ATOM 812 CA GLU A 54 -0.611 -7.322 4.545 1.00 0.00 C ATOM 813 C GLU A 54 -0.914 -6.269 3.484 1.00 0.00 C ATOM 814 O GLU A 54 -0.799 -6.525 2.285 1.00 0.00 O ATOM 815 CB GLU A 54 0.824 -7.151 5.041 1.00 0.00 C ATOM 816 CG GLU A 54 0.951 -7.226 6.550 1.00 0.00 C ATOM 817 CD GLU A 54 0.498 -5.955 7.245 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.048 -5.064 6.559 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.693 -5.851 8.474 1.00 0.00 O ATOM 0 H GLU A 54 -0.009 -9.100 3.600 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.302 -7.176 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.450 -7.922 4.592 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.207 -6.190 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.361 -8.065 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.990 -7.427 6.813 1.00 0.00 H new ATOM 826 N ILE A 55 -1.279 -5.074 3.943 1.00 0.00 N ATOM 827 CA ILE A 55 -1.560 -3.952 3.055 1.00 0.00 C ATOM 828 C ILE A 55 -0.842 -2.701 3.552 1.00 0.00 C ATOM 829 O ILE A 55 -1.113 -2.221 4.653 1.00 0.00 O ATOM 830 CB ILE A 55 -3.071 -3.659 2.960 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.867 -4.963 2.870 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.363 -2.771 1.760 1.00 0.00 C ATOM 833 CD1 ILE A 55 -5.235 -4.881 3.511 1.00 0.00 C ATOM 0 H ILE A 55 -1.387 -4.858 4.934 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.200 -4.225 2.063 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.379 -3.132 3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.982 -5.238 1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.298 -5.760 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.433 -2.573 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.824 -1.829 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.041 -3.274 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.742 -5.840 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.128 -4.637 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.822 -4.106 3.018 1.00 0.00 H new ATOM 845 N LEU A 56 0.094 -2.195 2.758 1.00 0.00 N ATOM 846 CA LEU A 56 0.867 -1.024 3.152 1.00 0.00 C ATOM 847 C LEU A 56 0.821 0.071 2.094 1.00 0.00 C ATOM 848 O LEU A 56 0.683 -0.202 0.901 1.00 0.00 O ATOM 849 CB LEU A 56 2.325 -1.412 3.415 1.00 0.00 C ATOM 850 CG LEU A 56 2.695 -1.589 4.887 1.00 0.00 C ATOM 851 CD1 LEU A 56 2.026 -2.828 5.458 1.00 0.00 C ATOM 852 CD2 LEU A 56 4.205 -1.672 5.050 1.00 0.00 C ATOM 0 H LEU A 56 0.335 -2.575 1.843 1.00 0.00 H new ATOM 0 HA LEU A 56 0.416 -0.635 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.537 -2.343 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.971 -0.648 2.984 1.00 0.00 H new ATOM 0 HG LEU A 56 2.338 -0.720 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.300 -2.939 6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.944 -2.728 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.353 -3.707 4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.451 -1.798 6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.586 -2.523 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.662 -0.755 4.678 1.00 0.00 H new ATOM 864 N GLU A 57 0.968 1.311 2.547 1.00 0.00 N ATOM 865 CA GLU A 57 1.006 2.463 1.655 1.00 0.00 C ATOM 866 C GLU A 57 2.390 3.097 1.706 1.00 0.00 C ATOM 867 O GLU A 57 2.921 3.356 2.784 1.00 0.00 O ATOM 868 CB GLU A 57 -0.063 3.484 2.047 1.00 0.00 C ATOM 869 CG GLU A 57 0.078 4.825 1.342 1.00 0.00 C ATOM 870 CD GLU A 57 -1.044 5.786 1.685 1.00 0.00 C ATOM 871 OE1 GLU A 57 -2.192 5.323 1.856 1.00 0.00 O ATOM 872 OE2 GLU A 57 -0.774 7.002 1.783 1.00 0.00 O ATOM 0 H GLU A 57 1.063 1.545 3.535 1.00 0.00 H new ATOM 0 HA GLU A 57 0.799 2.132 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.046 3.069 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.021 3.645 3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.033 5.275 1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.097 4.664 0.264 1.00 0.00 H new ATOM 879 N VAL A 58 2.982 3.326 0.541 1.00 0.00 N ATOM 880 CA VAL A 58 4.332 3.870 0.475 1.00 0.00 C ATOM 881 C VAL A 58 4.354 5.265 -0.138 1.00 0.00 C ATOM 882 O VAL A 58 3.825 5.491 -1.226 1.00 0.00 O ATOM 883 CB VAL A 58 5.266 2.954 -0.337 1.00 0.00 C ATOM 884 CG1 VAL A 58 6.717 3.194 0.048 1.00 0.00 C ATOM 885 CG2 VAL A 58 4.891 1.492 -0.138 1.00 0.00 C ATOM 0 H VAL A 58 2.552 3.145 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 58 4.687 3.931 1.504 1.00 0.00 H new ATOM 0 HB VAL A 58 5.148 3.195 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.362 2.538 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.980 4.233 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.851 2.984 1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.563 0.862 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.976 1.235 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.865 1.331 -0.469 1.00 0.00 H new ATOM 895 N TRP A 59 4.999 6.192 0.566 1.00 0.00 N ATOM 896 CA TRP A 59 5.124 7.569 0.095 1.00 0.00 C ATOM 897 C TRP A 59 6.595 7.969 0.000 1.00 0.00 C ATOM 898 O TRP A 59 7.243 8.231 1.016 1.00 0.00 O ATOM 899 CB TRP A 59 4.382 8.524 1.036 1.00 0.00 C ATOM 900 CG TRP A 59 3.703 9.664 0.332 1.00 0.00 C ATOM 901 CD1 TRP A 59 3.833 10.018 -0.981 1.00 0.00 C ATOM 902 CD2 TRP A 59 2.790 10.605 0.912 1.00 0.00 C ATOM 903 NE1 TRP A 59 3.055 11.117 -1.253 1.00 0.00 N ATOM 904 CE2 TRP A 59 2.406 11.497 -0.108 1.00 0.00 C ATOM 905 CE3 TRP A 59 2.261 10.778 2.194 1.00 0.00 C ATOM 906 CZ2 TRP A 59 1.516 12.545 0.116 1.00 0.00 C ATOM 907 CZ3 TRP A 59 1.377 11.819 2.415 1.00 0.00 C ATOM 908 CH2 TRP A 59 1.013 12.690 1.381 1.00 0.00 C ATOM 0 H TRP A 59 5.444 6.014 1.466 1.00 0.00 H new ATOM 0 HA TRP A 59 4.678 7.634 -0.897 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.637 7.960 1.597 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.089 8.927 1.761 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.457 9.508 -1.700 1.00 0.00 H new ATOM 0 HE1 TRP A 59 2.974 11.576 -2.160 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.537 10.111 2.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.233 13.219 -0.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.961 11.962 3.401 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.321 13.493 1.586 1.00 0.00 H new ATOM 919 N ILE A 60 7.134 7.952 -1.220 1.00 0.00 N ATOM 920 CA ILE A 60 8.537 8.302 -1.446 1.00 0.00 C ATOM 921 C ILE A 60 8.722 8.921 -2.828 1.00 0.00 C ATOM 922 O ILE A 60 7.765 9.405 -3.433 1.00 0.00 O ATOM 923 CB ILE A 60 9.475 7.078 -1.313 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.804 5.957 -0.512 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.785 7.492 -0.657 1.00 0.00 C ATOM 926 CD1 ILE A 60 9.707 4.773 -0.240 1.00 0.00 C ATOM 0 H ILE A 60 6.621 7.700 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 60 8.805 9.025 -0.675 1.00 0.00 H new ATOM 0 HB ILE A 60 9.686 6.697 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.455 6.361 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.923 5.613 -1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.438 6.624 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.273 8.252 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.583 7.897 0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.161 4.022 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.036 4.341 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.576 5.101 0.331 1.00 0.00 H new ATOM 938 N ASP A 61 9.957 8.906 -3.323 1.00 0.00 N ATOM 939 CA ASP A 61 10.263 9.485 -4.624 1.00 0.00 C ATOM 940 C ASP A 61 11.350 8.696 -5.352 1.00 0.00 C ATOM 941 O ASP A 61 12.168 9.276 -6.067 1.00 0.00 O ATOM 942 CB ASP A 61 10.706 10.940 -4.457 1.00 0.00 C ATOM 943 CG ASP A 61 11.911 11.076 -3.548 1.00 0.00 C ATOM 944 OD1 ASP A 61 11.780 10.782 -2.341 1.00 0.00 O ATOM 945 OD2 ASP A 61 12.986 11.476 -4.041 1.00 0.00 O ATOM 0 H ASP A 61 10.759 8.499 -2.842 1.00 0.00 H new ATOM 0 HA ASP A 61 9.356 9.443 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.943 11.359 -5.435 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.880 11.524 -4.051 1.00 0.00 H new ATOM 950 N TYR A 62 11.356 7.374 -5.181 1.00 0.00 N ATOM 951 CA TYR A 62 12.349 6.536 -5.849 1.00 0.00 C ATOM 952 C TYR A 62 11.719 5.760 -7.017 1.00 0.00 C ATOM 953 O TYR A 62 12.084 5.993 -8.169 1.00 0.00 O ATOM 954 CB TYR A 62 13.034 5.591 -4.856 1.00 0.00 C ATOM 955 CG TYR A 62 14.130 6.253 -4.050 1.00 0.00 C ATOM 956 CD1 TYR A 62 13.843 6.907 -2.858 1.00 0.00 C ATOM 957 CD2 TYR A 62 15.449 6.226 -4.484 1.00 0.00 C ATOM 958 CE1 TYR A 62 14.842 7.514 -2.120 1.00 0.00 C ATOM 959 CE2 TYR A 62 16.453 6.831 -3.752 1.00 0.00 C ATOM 960 CZ TYR A 62 16.144 7.473 -2.571 1.00 0.00 C ATOM 961 OH TYR A 62 17.140 8.077 -1.839 1.00 0.00 O ATOM 0 H TYR A 62 10.694 6.867 -4.594 1.00 0.00 H new ATOM 0 HA TYR A 62 13.117 7.191 -6.262 1.00 0.00 H new ATOM 0 HB2 TYR A 62 12.285 5.189 -4.174 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.455 4.746 -5.402 1.00 0.00 H new ATOM 0 HD1 TYR A 62 12.824 6.942 -2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.694 5.724 -5.408 1.00 0.00 H new ATOM 0 HE1 TYR A 62 14.604 8.018 -1.195 1.00 0.00 H new ATOM 0 HE2 TYR A 62 17.474 6.801 -4.103 1.00 0.00 H new ATOM 0 HH TYR A 62 18.000 7.956 -2.294 1.00 0.00 H new ATOM 971 N PRO A 63 10.740 4.855 -6.767 1.00 0.00 N ATOM 972 CA PRO A 63 10.227 4.513 -5.445 1.00 0.00 C ATOM 973 C PRO A 63 10.872 3.245 -4.889 1.00 0.00 C ATOM 974 O PRO A 63 11.494 2.481 -5.628 1.00 0.00 O ATOM 975 CB PRO A 63 8.752 4.271 -5.742 1.00 0.00 C ATOM 976 CG PRO A 63 8.731 3.700 -7.130 1.00 0.00 C ATOM 977 CD PRO A 63 10.040 4.075 -7.796 1.00 0.00 C ATOM 0 HA PRO A 63 10.424 5.280 -4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.312 3.580 -5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.180 5.197 -5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.614 2.617 -7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.886 4.095 -7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.609 3.192 -8.086 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.876 4.660 -8.701 1.00 0.00 H new ATOM 985 N MET A 64 10.727 3.023 -3.587 1.00 0.00 N ATOM 986 CA MET A 64 11.297 1.841 -2.945 1.00 0.00 C ATOM 987 C MET A 64 10.586 0.570 -3.401 1.00 0.00 C ATOM 988 O MET A 64 11.103 -0.536 -3.236 1.00 0.00 O ATOM 989 CB MET A 64 11.212 1.964 -1.424 1.00 0.00 C ATOM 990 CG MET A 64 12.566 2.027 -0.739 1.00 0.00 C ATOM 991 SD MET A 64 13.649 0.663 -1.211 1.00 0.00 S ATOM 992 CE MET A 64 15.237 1.287 -0.666 1.00 0.00 C ATOM 0 H MET A 64 10.221 3.644 -2.955 1.00 0.00 H new ATOM 0 HA MET A 64 12.344 1.776 -3.240 1.00 0.00 H new ATOM 0 HB2 MET A 64 10.645 2.860 -1.172 1.00 0.00 H new ATOM 0 HB3 MET A 64 10.655 1.114 -1.030 1.00 0.00 H new ATOM 0 HG2 MET A 64 13.050 2.972 -0.986 1.00 0.00 H new ATOM 0 HG3 MET A 64 12.423 2.015 0.342 1.00 0.00 H new ATOM 0 HE1 MET A 64 16.012 0.554 -0.889 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.459 2.219 -1.185 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.207 1.468 0.408 1.00 0.00 H new ATOM 1002 N SER A 65 9.394 0.733 -3.970 1.00 0.00 N ATOM 1003 CA SER A 65 8.615 -0.404 -4.447 1.00 0.00 C ATOM 1004 C SER A 65 9.375 -1.172 -5.524 1.00 0.00 C ATOM 1005 O SER A 65 9.052 -2.322 -5.823 1.00 0.00 O ATOM 1006 CB SER A 65 7.265 0.068 -4.996 1.00 0.00 C ATOM 1007 OG SER A 65 7.234 1.477 -5.140 1.00 0.00 O ATOM 0 H SER A 65 8.948 1.640 -4.111 1.00 0.00 H new ATOM 0 HA SER A 65 8.442 -1.072 -3.604 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.077 -0.403 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.466 -0.249 -4.326 1.00 0.00 H new ATOM 0 HG SER A 65 7.011 1.889 -4.279 1.00 0.00 H new ATOM 1013 N LYS A 66 10.389 -0.530 -6.099 1.00 0.00 N ATOM 1014 CA LYS A 66 11.197 -1.156 -7.140 1.00 0.00 C ATOM 1015 C LYS A 66 11.918 -2.385 -6.601 1.00 0.00 C ATOM 1016 O LYS A 66 12.237 -3.306 -7.351 1.00 0.00 O ATOM 1017 CB LYS A 66 12.210 -0.155 -7.704 1.00 0.00 C ATOM 1018 CG LYS A 66 13.314 0.215 -6.726 1.00 0.00 C ATOM 1019 CD LYS A 66 14.658 0.331 -7.425 1.00 0.00 C ATOM 1020 CE LYS A 66 15.474 1.494 -6.882 1.00 0.00 C ATOM 1021 NZ LYS A 66 15.934 1.244 -5.488 1.00 0.00 N ATOM 0 H LYS A 66 10.670 0.421 -5.862 1.00 0.00 H new ATOM 0 HA LYS A 66 10.531 -1.473 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.660 -0.575 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.684 0.751 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.071 1.161 -6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.374 -0.539 -5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.216 -0.597 -7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.502 0.464 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.338 1.663 -7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.873 2.403 -6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.781 1.815 -5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.180 1.506 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.163 0.236 -5.373 1.00 0.00 H new ATOM 1035 N GLU A 67 12.182 -2.384 -5.299 1.00 0.00 N ATOM 1036 CA GLU A 67 12.830 -3.513 -4.646 1.00 0.00 C ATOM 1037 C GLU A 67 11.777 -4.446 -4.059 1.00 0.00 C ATOM 1038 O GLU A 67 12.001 -5.651 -3.913 1.00 0.00 O ATOM 1039 CB GLU A 67 13.771 -3.025 -3.544 1.00 0.00 C ATOM 1040 CG GLU A 67 15.241 -3.266 -3.846 1.00 0.00 C ATOM 1041 CD GLU A 67 16.122 -2.109 -3.419 1.00 0.00 C ATOM 1042 OE1 GLU A 67 16.060 -1.722 -2.232 1.00 0.00 O ATOM 1043 OE2 GLU A 67 16.875 -1.589 -4.269 1.00 0.00 O ATOM 0 H GLU A 67 11.956 -1.610 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 67 13.416 -4.057 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.611 -1.958 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.514 -3.526 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.568 -4.173 -3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.365 -3.437 -4.915 1.00 0.00 H new ATOM 1050 N ARG A 68 10.618 -3.874 -3.748 1.00 0.00 N ATOM 1051 CA ARG A 68 9.511 -4.634 -3.187 1.00 0.00 C ATOM 1052 C ARG A 68 9.085 -5.760 -4.123 1.00 0.00 C ATOM 1053 O ARG A 68 8.908 -6.898 -3.692 1.00 0.00 O ATOM 1054 CB ARG A 68 8.320 -3.712 -2.919 1.00 0.00 C ATOM 1055 CG ARG A 68 8.258 -3.193 -1.492 1.00 0.00 C ATOM 1056 CD ARG A 68 9.273 -2.086 -1.257 1.00 0.00 C ATOM 1057 NE ARG A 68 9.009 -1.356 -0.021 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.595 -0.093 0.015 1.00 0.00 C ATOM 1059 NH1 ARG A 68 8.399 0.577 -1.113 1.00 0.00 N ATOM 1060 NH2 ARG A 68 8.379 0.501 1.180 1.00 0.00 N ATOM 0 H ARG A 68 10.423 -2.881 -3.877 1.00 0.00 H new ATOM 0 HA ARG A 68 9.849 -5.074 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.367 -2.864 -3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.398 -4.250 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.256 -2.819 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.444 -4.012 -0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.274 -2.515 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.255 -1.393 -2.098 1.00 0.00 H new ATOM 0 HE ARG A 68 9.150 -1.842 0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.566 0.123 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.081 1.546 -1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.530 -0.011 2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.061 1.470 1.207 1.00 0.00 H new ATOM 1074 N ILE A 69 8.918 -5.433 -5.402 1.00 0.00 N ATOM 1075 CA ILE A 69 8.487 -6.417 -6.389 1.00 0.00 C ATOM 1076 C ILE A 69 9.443 -7.614 -6.456 1.00 0.00 C ATOM 1077 O ILE A 69 9.010 -8.753 -6.292 1.00 0.00 O ATOM 1078 CB ILE A 69 8.343 -5.789 -7.791 1.00 0.00 C ATOM 1079 CG1 ILE A 69 7.535 -4.493 -7.713 1.00 0.00 C ATOM 1080 CG2 ILE A 69 7.686 -6.771 -8.749 1.00 0.00 C ATOM 1081 CD1 ILE A 69 8.095 -3.378 -8.569 1.00 0.00 C ATOM 0 H ILE A 69 9.074 -4.498 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 69 7.510 -6.773 -6.063 1.00 0.00 H new ATOM 0 HB ILE A 69 9.338 -5.554 -8.169 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.509 -4.695 -8.020 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.498 -4.160 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.592 -6.312 -9.733 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.298 -7.670 -8.825 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.696 -7.036 -8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.471 -2.490 -8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.111 -3.148 -8.248 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.107 -3.692 -9.613 1.00 0.00 H new ATOM 1093 N PRO A 70 10.757 -7.381 -6.689 1.00 0.00 N ATOM 1094 CA PRO A 70 11.750 -8.459 -6.784 1.00 0.00 C ATOM 1095 C PRO A 70 11.574 -9.534 -5.714 1.00 0.00 C ATOM 1096 O PRO A 70 11.521 -10.724 -6.024 1.00 0.00 O ATOM 1097 CB PRO A 70 13.071 -7.723 -6.586 1.00 0.00 C ATOM 1098 CG PRO A 70 12.829 -6.370 -7.159 1.00 0.00 C ATOM 1099 CD PRO A 70 11.377 -6.056 -6.899 1.00 0.00 C ATOM 0 HA PRO A 70 11.671 -8.999 -7.727 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.340 -7.666 -5.531 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.889 -8.231 -7.097 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.477 -5.628 -6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.045 -6.355 -8.227 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.257 -5.416 -6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.925 -5.533 -7.741 1.00 0.00 H new ATOM 1107 N GLU A 71 11.491 -9.111 -4.457 1.00 0.00 N ATOM 1108 CA GLU A 71 11.325 -10.049 -3.352 1.00 0.00 C ATOM 1109 C GLU A 71 10.010 -10.815 -3.478 1.00 0.00 C ATOM 1110 O GLU A 71 9.954 -12.025 -3.242 1.00 0.00 O ATOM 1111 CB GLU A 71 11.367 -9.302 -2.015 1.00 0.00 C ATOM 1112 CG GLU A 71 12.580 -9.641 -1.162 1.00 0.00 C ATOM 1113 CD GLU A 71 12.779 -11.134 -0.989 1.00 0.00 C ATOM 1114 OE1 GLU A 71 12.071 -11.735 -0.153 1.00 0.00 O ATOM 1115 OE2 GLU A 71 13.644 -11.704 -1.688 1.00 0.00 O ATOM 0 H GLU A 71 11.536 -8.131 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 71 12.145 -10.766 -3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.358 -8.229 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.462 -9.532 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.471 -9.211 -1.619 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.470 -9.178 -0.181 1.00 0.00 H new ATOM 1122 N THR A 72 8.956 -10.104 -3.862 1.00 0.00 N ATOM 1123 CA THR A 72 7.637 -10.707 -4.003 1.00 0.00 C ATOM 1124 C THR A 72 7.639 -11.838 -5.026 1.00 0.00 C ATOM 1125 O THR A 72 7.171 -12.938 -4.740 1.00 0.00 O ATOM 1126 CB THR A 72 6.613 -9.653 -4.412 1.00 0.00 C ATOM 1127 OG1 THR A 72 6.845 -8.434 -3.730 1.00 0.00 O ATOM 1128 CG2 THR A 72 5.187 -10.072 -4.131 1.00 0.00 C ATOM 0 H THR A 72 8.990 -9.108 -4.081 1.00 0.00 H new ATOM 0 HA THR A 72 7.366 -11.125 -3.033 1.00 0.00 H new ATOM 0 HB THR A 72 6.737 -9.530 -5.488 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.520 -7.913 -4.212 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.507 -9.280 -4.444 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.960 -10.984 -4.683 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.065 -10.254 -3.063 1.00 0.00 H new ATOM 1136 N VAL A 73 8.144 -11.559 -6.224 1.00 0.00 N ATOM 1137 CA VAL A 73 8.174 -12.555 -7.284 1.00 0.00 C ATOM 1138 C VAL A 73 8.960 -13.784 -6.853 1.00 0.00 C ATOM 1139 O VAL A 73 8.699 -14.891 -7.326 1.00 0.00 O ATOM 1140 CB VAL A 73 8.761 -12.004 -8.589 1.00 0.00 C ATOM 1141 CG1 VAL A 73 7.662 -11.773 -9.615 1.00 0.00 C ATOM 1142 CG2 VAL A 73 9.554 -10.730 -8.349 1.00 0.00 C ATOM 0 H VAL A 73 8.536 -10.654 -6.482 1.00 0.00 H new ATOM 0 HA VAL A 73 7.137 -12.833 -7.474 1.00 0.00 H new ATOM 0 HB VAL A 73 9.451 -12.750 -8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.099 -11.382 -10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.157 -12.716 -9.826 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.942 -11.056 -9.222 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.955 -10.368 -9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.901 -9.971 -7.917 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.375 -10.936 -7.662 1.00 0.00 H new ATOM 1152 N LYS A 74 9.896 -13.596 -5.928 1.00 0.00 N ATOM 1153 CA LYS A 74 10.652 -14.717 -5.393 1.00 0.00 C ATOM 1154 C LYS A 74 9.682 -15.710 -4.774 1.00 0.00 C ATOM 1155 O LYS A 74 9.758 -16.914 -5.021 1.00 0.00 O ATOM 1156 CB LYS A 74 11.662 -14.240 -4.348 1.00 0.00 C ATOM 1157 CG LYS A 74 13.007 -14.945 -4.436 1.00 0.00 C ATOM 1158 CD LYS A 74 14.133 -13.963 -4.710 1.00 0.00 C ATOM 1159 CE LYS A 74 15.465 -14.675 -4.879 1.00 0.00 C ATOM 1160 NZ LYS A 74 16.592 -13.894 -4.299 1.00 0.00 N ATOM 0 H LYS A 74 10.146 -12.687 -5.538 1.00 0.00 H new ATOM 0 HA LYS A 74 11.207 -15.196 -6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.815 -13.167 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.244 -14.395 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.203 -15.474 -3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.975 -15.694 -5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.908 -13.392 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.202 -13.249 -3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.417 -15.653 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.652 -14.848 -5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.482 -14.415 -4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.655 -12.971 -4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.428 -13.750 -3.282 1.00 0.00 H new ATOM 1174 N LYS A 75 8.723 -15.177 -4.022 1.00 0.00 N ATOM 1175 CA LYS A 75 7.678 -15.993 -3.415 1.00 0.00 C ATOM 1176 C LYS A 75 6.477 -16.107 -4.354 1.00 0.00 C ATOM 1177 O LYS A 75 6.272 -17.137 -4.996 1.00 0.00 O ATOM 1178 CB LYS A 75 7.236 -15.394 -2.078 1.00 0.00 C ATOM 1179 CG LYS A 75 8.349 -15.315 -1.045 1.00 0.00 C ATOM 1180 CD LYS A 75 9.060 -13.971 -1.091 1.00 0.00 C ATOM 1181 CE LYS A 75 8.170 -12.849 -0.579 1.00 0.00 C ATOM 1182 NZ LYS A 75 8.173 -12.773 0.909 1.00 0.00 N ATOM 0 H LYS A 75 8.649 -14.180 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 75 8.084 -16.989 -3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.842 -14.393 -2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.419 -15.993 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.934 -15.474 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.068 -16.114 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.968 -14.019 -0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.366 -13.755 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.510 -11.899 -0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.151 -13.004 -0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.711 -11.892 1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.656 -13.587 1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.154 -12.787 1.255 1.00 0.00 H new ATOM 1196 N LEU A 76 5.674 -15.044 -4.410 1.00 0.00 N ATOM 1197 CA LEU A 76 4.502 -15.006 -5.281 1.00 0.00 C ATOM 1198 C LEU A 76 4.811 -14.255 -6.575 1.00 0.00 C ATOM 1199 O LEU A 76 5.389 -14.814 -7.508 1.00 0.00 O ATOM 1200 CB LEU A 76 3.316 -14.349 -4.564 1.00 0.00 C ATOM 1201 CG LEU A 76 3.685 -13.391 -3.429 1.00 0.00 C ATOM 1202 CD1 LEU A 76 2.648 -12.285 -3.308 1.00 0.00 C ATOM 1203 CD2 LEU A 76 3.818 -14.145 -2.114 1.00 0.00 C ATOM 0 H LEU A 76 5.816 -14.196 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 76 4.236 -16.033 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.725 -13.803 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.677 -15.134 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 76 4.648 -12.937 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.926 -11.613 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.602 -11.726 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.672 -12.723 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.081 -13.447 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.871 -14.628 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.598 -14.901 -2.205 1.00 0.00 H new ATOM 1215 N GLY A 77 4.418 -12.982 -6.622 1.00 0.00 N ATOM 1216 CA GLY A 77 4.661 -12.167 -7.796 1.00 0.00 C ATOM 1217 C GLY A 77 4.950 -10.722 -7.439 1.00 0.00 C ATOM 1218 O GLY A 77 6.108 -10.317 -7.348 1.00 0.00 O ATOM 0 H GLY A 77 3.934 -12.502 -5.863 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.503 -12.577 -8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.792 -12.211 -8.453 1.00 0.00 H new ATOM 1222 N HIS A 78 3.895 -9.935 -7.257 1.00 0.00 N ATOM 1223 CA HIS A 78 4.048 -8.530 -6.895 1.00 0.00 C ATOM 1224 C HIS A 78 2.917 -8.069 -5.986 1.00 0.00 C ATOM 1225 O HIS A 78 1.781 -8.526 -6.107 1.00 0.00 O ATOM 1226 CB HIS A 78 4.098 -7.647 -8.146 1.00 0.00 C ATOM 1227 CG HIS A 78 3.614 -8.327 -9.390 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.433 -9.031 -9.407 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.179 -8.377 -10.620 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.307 -9.494 -10.638 1.00 0.00 C ATOM 1231 NE2 HIS A 78 3.340 -9.123 -11.407 1.00 0.00 N ATOM 0 H HIS A 78 2.928 -10.244 -7.354 1.00 0.00 H new ATOM 0 HA HIS A 78 4.990 -8.433 -6.355 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.495 -6.755 -7.973 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.124 -7.313 -8.302 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.109 -7.919 -10.922 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.478 -10.095 -10.981 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.476 -9.352 -12.392 1.00 0.00 H new ATOM 1239 N GLU A 79 3.235 -7.149 -5.081 1.00 0.00 N ATOM 1240 CA GLU A 79 2.254 -6.584 -4.184 1.00 0.00 C ATOM 1241 C GLU A 79 1.737 -5.282 -4.774 1.00 0.00 C ATOM 1242 O GLU A 79 1.779 -4.233 -4.137 1.00 0.00 O ATOM 1243 CB GLU A 79 2.890 -6.340 -2.817 1.00 0.00 C ATOM 1244 CG GLU A 79 3.957 -7.359 -2.453 1.00 0.00 C ATOM 1245 CD GLU A 79 5.157 -6.731 -1.773 1.00 0.00 C ATOM 1246 OE1 GLU A 79 5.908 -5.998 -2.450 1.00 0.00 O ATOM 1247 OE2 GLU A 79 5.345 -6.969 -0.561 1.00 0.00 O ATOM 0 H GLU A 79 4.178 -6.781 -4.955 1.00 0.00 H new ATOM 0 HA GLU A 79 1.420 -7.274 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.331 -5.343 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.111 -6.354 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.525 -8.113 -1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.285 -7.874 -3.356 1.00 0.00 H new ATOM 1254 N VAL A 80 1.289 -5.355 -6.020 1.00 0.00 N ATOM 1255 CA VAL A 80 0.820 -4.179 -6.736 1.00 0.00 C ATOM 1256 C VAL A 80 -0.699 -4.081 -6.699 1.00 0.00 C ATOM 1257 O VAL A 80 -1.404 -4.961 -7.194 1.00 0.00 O ATOM 1258 CB VAL A 80 1.303 -4.194 -8.203 1.00 0.00 C ATOM 1259 CG1 VAL A 80 1.171 -5.590 -8.796 1.00 0.00 C ATOM 1260 CG2 VAL A 80 0.541 -3.175 -9.038 1.00 0.00 C ATOM 0 H VAL A 80 1.241 -6.221 -6.557 1.00 0.00 H new ATOM 0 HA VAL A 80 1.239 -3.307 -6.235 1.00 0.00 H new ATOM 0 HB VAL A 80 2.357 -3.916 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.516 -5.580 -9.830 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.775 -6.289 -8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.127 -5.901 -8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.900 -3.206 -10.067 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.523 -3.411 -9.018 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.699 -2.177 -8.628 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.192 -2.997 -6.110 1.00 0.00 N ATOM 1271 CA LEU A 81 -2.624 -2.769 -6.000 1.00 0.00 C ATOM 1272 C LEU A 81 -2.973 -1.342 -6.396 1.00 0.00 C ATOM 1273 O LEU A 81 -4.058 -1.087 -6.918 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.119 -3.063 -4.577 1.00 0.00 C ATOM 1275 CG LEU A 81 -2.385 -2.316 -3.460 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -3.139 -2.432 -2.145 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -0.977 -2.852 -3.301 1.00 0.00 C ATOM 0 H LEU A 81 -0.617 -2.261 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.126 -3.452 -6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.179 -2.816 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.031 -4.134 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.332 -1.263 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.598 -1.893 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.135 -2.004 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.225 -3.482 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.469 -2.310 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.017 -3.912 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.430 -2.720 -4.234 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.040 -0.415 -6.185 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.284 0.979 -6.555 1.00 0.00 C ATOM 1291 C GLU A 82 -0.988 1.722 -6.869 1.00 0.00 C ATOM 1292 O GLU A 82 0.050 1.466 -6.263 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.042 1.704 -5.442 1.00 0.00 C ATOM 1294 CG GLU A 82 -4.173 2.583 -5.949 1.00 0.00 C ATOM 1295 CD GLU A 82 -3.934 4.056 -5.674 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -3.028 4.639 -6.305 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -4.657 4.626 -4.829 1.00 0.00 O ATOM 0 H GLU A 82 -1.127 -0.597 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.891 0.970 -7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.449 0.966 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.341 2.318 -4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.293 2.432 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.107 2.276 -5.478 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.061 2.633 -7.838 1.00 0.00 N ATOM 1305 CA ILE A 83 0.091 3.441 -8.236 1.00 0.00 C ATOM 1306 C ILE A 83 -0.351 4.851 -8.625 1.00 0.00 C ATOM 1307 O ILE A 83 -1.228 5.019 -9.473 1.00 0.00 O ATOM 1308 CB ILE A 83 0.850 2.812 -9.424 1.00 0.00 C ATOM 1309 CG1 ILE A 83 1.245 1.367 -9.109 1.00 0.00 C ATOM 1310 CG2 ILE A 83 2.083 3.636 -9.761 1.00 0.00 C ATOM 1311 CD1 ILE A 83 0.630 0.355 -10.050 1.00 0.00 C ATOM 0 H ILE A 83 -1.912 2.831 -8.365 1.00 0.00 H new ATOM 0 HA ILE A 83 0.760 3.484 -7.377 1.00 0.00 H new ATOM 0 HB ILE A 83 0.187 2.806 -10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.331 1.278 -9.151 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.945 1.131 -8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.607 3.180 -10.601 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.782 4.649 -10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.745 3.671 -8.896 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.953 -0.647 -9.768 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.457 0.416 -9.991 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.950 0.566 -11.070 1.00 0.00 H new ATOM 1323 N GLU A 84 0.260 5.862 -8.009 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.081 7.249 -8.308 1.00 0.00 C ATOM 1325 C GLU A 84 1.100 8.176 -8.039 1.00 0.00 C ATOM 1326 O GLU A 84 2.141 7.746 -7.541 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.296 7.690 -7.486 1.00 0.00 C ATOM 1328 CG GLU A 84 -0.977 8.009 -6.033 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.187 8.502 -5.264 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -2.419 9.729 -5.248 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -2.901 7.661 -4.679 1.00 0.00 O ATOM 0 H GLU A 84 0.989 5.747 -7.305 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.329 7.312 -9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.737 8.571 -7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.049 6.902 -7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.582 7.117 -5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.194 8.766 -5.995 1.00 0.00 H new ATOM 1338 N GLU A 85 0.932 9.449 -8.383 1.00 0.00 N ATOM 1339 CA GLU A 85 1.984 10.442 -8.186 1.00 0.00 C ATOM 1340 C GLU A 85 1.421 11.713 -7.563 1.00 0.00 C ATOM 1341 O GLU A 85 0.205 11.888 -7.473 1.00 0.00 O ATOM 1342 CB GLU A 85 2.664 10.773 -9.520 1.00 0.00 C ATOM 1343 CG GLU A 85 2.052 10.062 -10.717 1.00 0.00 C ATOM 1344 CD GLU A 85 2.641 8.683 -10.941 1.00 0.00 C ATOM 1345 OE1 GLU A 85 3.828 8.483 -10.607 1.00 0.00 O ATOM 1346 OE2 GLU A 85 1.916 7.803 -11.451 1.00 0.00 O ATOM 0 H GLU A 85 0.077 9.818 -8.800 1.00 0.00 H new ATOM 0 HA GLU A 85 2.723 10.019 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.614 11.849 -9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.720 10.509 -9.454 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.975 9.974 -10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.204 10.667 -11.611 1.00 0.00 H new ATOM 1353 N VAL A 86 2.312 12.599 -7.130 1.00 0.00 N ATOM 1354 CA VAL A 86 1.905 13.854 -6.509 1.00 0.00 C ATOM 1355 C VAL A 86 2.611 15.044 -7.154 1.00 0.00 C ATOM 1356 O VAL A 86 1.967 16.006 -7.572 1.00 0.00 O ATOM 1357 CB VAL A 86 2.197 13.853 -4.996 1.00 0.00 C ATOM 1358 CG1 VAL A 86 1.696 15.138 -4.352 1.00 0.00 C ATOM 1359 CG2 VAL A 86 1.569 12.637 -4.336 1.00 0.00 C ATOM 0 H VAL A 86 3.322 12.471 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 86 0.830 13.948 -6.663 1.00 0.00 H new ATOM 0 HB VAL A 86 3.276 13.801 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.912 15.118 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.197 15.992 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.620 15.225 -4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.784 12.651 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.490 12.657 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.982 11.730 -4.777 1.00 0.00 H new ATOM 1369 N GLY A 87 3.937 14.973 -7.225 1.00 0.00 N ATOM 1370 CA GLY A 87 4.707 16.055 -7.811 1.00 0.00 C ATOM 1371 C GLY A 87 5.635 15.584 -8.917 1.00 0.00 C ATOM 1372 O GLY A 87 5.298 14.660 -9.659 1.00 0.00 O ATOM 0 H GLY A 87 4.491 14.186 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.025 16.806 -8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.295 16.540 -7.032 1.00 0.00 H new ATOM 1376 N PRO A 88 6.822 16.206 -9.055 1.00 0.00 N ATOM 1377 CA PRO A 88 7.792 15.838 -10.094 1.00 0.00 C ATOM 1378 C PRO A 88 8.339 14.426 -9.909 1.00 0.00 C ATOM 1379 O PRO A 88 7.937 13.499 -10.612 1.00 0.00 O ATOM 1380 CB PRO A 88 8.910 16.873 -9.932 1.00 0.00 C ATOM 1381 CG PRO A 88 8.772 17.374 -8.536 1.00 0.00 C ATOM 1382 CD PRO A 88 7.305 17.319 -8.218 1.00 0.00 C ATOM 0 HA PRO A 88 7.338 15.837 -11.085 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.890 16.424 -10.095 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.806 17.683 -10.654 1.00 0.00 H new ATOM 0 HG2 PRO A 88 9.345 16.758 -7.842 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.152 18.392 -8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.129 17.132 -7.159 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.804 18.255 -8.464 1.00 0.00 H new ATOM 1390 N SER A 89 9.261 14.267 -8.964 1.00 0.00 N ATOM 1391 CA SER A 89 9.863 12.966 -8.699 1.00 0.00 C ATOM 1392 C SER A 89 9.210 12.293 -7.500 1.00 0.00 C ATOM 1393 O SER A 89 9.486 11.133 -7.198 1.00 0.00 O ATOM 1394 CB SER A 89 11.367 13.110 -8.464 1.00 0.00 C ATOM 1395 OG SER A 89 11.822 14.400 -8.835 1.00 0.00 O ATOM 0 H SER A 89 9.606 15.021 -8.371 1.00 0.00 H new ATOM 0 HA SER A 89 9.700 12.338 -9.575 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.592 12.930 -7.413 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.902 12.354 -9.039 1.00 0.00 H new ATOM 0 HG SER A 89 12.786 14.466 -8.673 1.00 0.00 H new ATOM 1401 N GLU A 90 8.336 13.029 -6.828 1.00 0.00 N ATOM 1402 CA GLU A 90 7.625 12.504 -5.667 1.00 0.00 C ATOM 1403 C GLU A 90 6.323 11.838 -6.093 1.00 0.00 C ATOM 1404 O GLU A 90 5.582 12.376 -6.916 1.00 0.00 O ATOM 1405 CB GLU A 90 7.333 13.624 -4.663 1.00 0.00 C ATOM 1406 CG GLU A 90 6.828 14.905 -5.306 1.00 0.00 C ATOM 1407 CD GLU A 90 6.235 15.868 -4.297 1.00 0.00 C ATOM 1408 OE1 GLU A 90 5.441 15.419 -3.443 1.00 0.00 O ATOM 1409 OE2 GLU A 90 6.563 17.071 -4.359 1.00 0.00 O ATOM 0 H GLU A 90 8.101 13.993 -7.066 1.00 0.00 H new ATOM 0 HA GLU A 90 8.261 11.759 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.592 13.272 -3.945 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.242 13.843 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.650 15.393 -5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.075 14.659 -6.055 1.00 0.00 H new ATOM 1416 N TRP A 91 6.056 10.655 -5.549 1.00 0.00 N ATOM 1417 CA TRP A 91 4.844 9.921 -5.890 1.00 0.00 C ATOM 1418 C TRP A 91 4.391 9.036 -4.736 1.00 0.00 C ATOM 1419 O TRP A 91 5.117 8.846 -3.757 1.00 0.00 O ATOM 1420 CB TRP A 91 5.073 9.068 -7.140 1.00 0.00 C ATOM 1421 CG TRP A 91 6.482 8.577 -7.280 1.00 0.00 C ATOM 1422 CD1 TRP A 91 7.155 7.757 -6.420 1.00 0.00 C ATOM 1423 CD2 TRP A 91 7.392 8.875 -8.344 1.00 0.00 C ATOM 1424 NE1 TRP A 91 8.426 7.526 -6.885 1.00 0.00 N ATOM 1425 CE2 TRP A 91 8.597 8.203 -8.065 1.00 0.00 C ATOM 1426 CE3 TRP A 91 7.304 9.646 -9.507 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 9.704 8.279 -8.905 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 8.405 9.721 -10.339 1.00 0.00 C ATOM 1429 CH2 TRP A 91 9.590 9.041 -10.036 1.00 0.00 C ATOM 0 H TRP A 91 6.660 10.186 -4.873 1.00 0.00 H new ATOM 0 HA TRP A 91 4.059 10.650 -6.091 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.399 8.212 -7.114 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.811 9.653 -8.022 1.00 0.00 H new ATOM 0 HD1 TRP A 91 6.747 7.349 -5.507 1.00 0.00 H new ATOM 0 HE1 TRP A 91 9.129 6.945 -6.427 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.393 10.173 -9.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 10.620 7.756 -8.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 8.350 10.315 -11.239 1.00 0.00 H new ATOM 0 HH2 TRP A 91 10.432 9.119 -10.708 1.00 0.00 H new ATOM 1440 N LYS A 92 3.186 8.492 -4.863 1.00 0.00 N ATOM 1441 CA LYS A 92 2.631 7.617 -3.846 1.00 0.00 C ATOM 1442 C LYS A 92 2.178 6.303 -4.468 1.00 0.00 C ATOM 1443 O LYS A 92 1.399 6.292 -5.420 1.00 0.00 O ATOM 1444 CB LYS A 92 1.456 8.299 -3.145 1.00 0.00 C ATOM 1445 CG LYS A 92 0.794 7.434 -2.087 1.00 0.00 C ATOM 1446 CD LYS A 92 0.022 8.272 -1.082 1.00 0.00 C ATOM 1447 CE LYS A 92 -1.339 8.676 -1.622 1.00 0.00 C ATOM 1448 NZ LYS A 92 -1.734 10.040 -1.173 1.00 0.00 N ATOM 0 H LYS A 92 2.575 8.645 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 92 3.406 7.406 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.806 9.221 -2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.712 8.579 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.118 6.725 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.553 6.849 -1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.105 7.708 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.596 9.165 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.321 8.644 -2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.088 7.955 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.668 10.277 -1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.776 10.065 -0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.033 10.732 -1.508 1.00 0.00 H new ATOM 1462 N ILE A 93 2.675 5.197 -3.933 1.00 0.00 N ATOM 1463 CA ILE A 93 2.329 3.881 -4.449 1.00 0.00 C ATOM 1464 C ILE A 93 1.786 2.990 -3.340 1.00 0.00 C ATOM 1465 O ILE A 93 2.009 3.245 -2.159 1.00 0.00 O ATOM 1466 CB ILE A 93 3.545 3.193 -5.101 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.209 4.134 -6.107 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.129 1.896 -5.782 1.00 0.00 C ATOM 1469 CD1 ILE A 93 5.348 4.940 -5.522 1.00 0.00 C ATOM 0 H ILE A 93 3.319 5.185 -3.142 1.00 0.00 H new ATOM 0 HA ILE A 93 1.560 4.027 -5.207 1.00 0.00 H new ATOM 0 HB ILE A 93 4.265 2.952 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.583 3.549 -6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.458 4.817 -6.504 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.002 1.427 -6.236 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.696 1.220 -5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.391 2.111 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.771 5.585 -6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.976 5.552 -4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.119 4.264 -5.151 1.00 0.00 H new ATOM 1481 N TYR A 94 1.067 1.950 -3.735 1.00 0.00 N ATOM 1482 CA TYR A 94 0.496 1.010 -2.789 1.00 0.00 C ATOM 1483 C TYR A 94 1.061 -0.381 -3.012 1.00 0.00 C ATOM 1484 O TYR A 94 1.054 -0.889 -4.140 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.023 0.963 -2.931 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.745 2.108 -2.252 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.423 3.429 -2.537 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.762 1.864 -1.336 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -2.084 4.474 -1.920 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -3.429 2.904 -0.718 1.00 0.00 C ATOM 1491 CZ TYR A 94 -3.087 4.207 -1.013 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.749 5.245 -0.398 1.00 0.00 O ATOM 0 H TYR A 94 0.866 1.737 -4.712 1.00 0.00 H new ATOM 0 HA TYR A 94 0.754 1.347 -1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.278 0.965 -3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.387 0.022 -2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.643 3.643 -3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.035 0.845 -1.104 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.816 5.495 -2.147 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.215 2.697 -0.007 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.317 5.447 0.458 1.00 0.00 H new ATOM 1502 N ILE A 95 1.452 -1.014 -1.909 1.00 0.00 N ATOM 1503 CA ILE A 95 2.012 -2.359 -1.925 1.00 0.00 C ATOM 1504 C ILE A 95 1.192 -3.252 -0.999 1.00 0.00 C ATOM 1505 O ILE A 95 0.748 -2.805 0.057 1.00 0.00 O ATOM 1506 CB ILE A 95 3.490 -2.346 -1.472 1.00 0.00 C ATOM 1507 CG1 ILE A 95 4.389 -1.823 -2.598 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.942 -3.731 -1.024 1.00 0.00 C ATOM 1509 CD1 ILE A 95 4.434 -2.721 -3.817 1.00 0.00 C ATOM 0 H ILE A 95 1.388 -0.606 -0.977 1.00 0.00 H new ATOM 0 HA ILE A 95 1.974 -2.746 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 95 3.575 -1.675 -0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.039 -0.836 -2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.401 -1.699 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.985 -3.690 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.326 -4.062 -0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.839 -4.433 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.091 -2.282 -4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.813 -3.702 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.430 -2.826 -4.229 1.00 0.00 H new ATOM 1521 N LYS A 96 0.907 -4.481 -1.430 1.00 0.00 N ATOM 1522 CA LYS A 96 0.064 -5.369 -0.629 1.00 0.00 C ATOM 1523 C LYS A 96 0.498 -6.826 -0.742 1.00 0.00 C ATOM 1524 O LYS A 96 0.310 -7.463 -1.779 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.403 -5.222 -1.052 1.00 0.00 C ATOM 1526 CG LYS A 96 -2.285 -6.402 -0.671 1.00 0.00 C ATOM 1527 CD LYS A 96 -2.819 -7.114 -1.901 1.00 0.00 C ATOM 1528 CE LYS A 96 -4.288 -7.471 -1.747 1.00 0.00 C ATOM 1529 NZ LYS A 96 -4.660 -8.659 -2.564 1.00 0.00 N ATOM 0 H LYS A 96 1.239 -4.878 -2.309 1.00 0.00 H new ATOM 0 HA LYS A 96 0.175 -5.075 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.811 -4.318 -0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.446 -5.085 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.714 -7.103 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.118 -6.054 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.689 -6.477 -2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.240 -8.021 -2.077 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.505 -7.670 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.901 -6.620 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.670 -8.869 -2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.477 -8.461 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.093 -9.478 -2.264 1.00 0.00 H new ATOM 1543 N VAL A 97 1.055 -7.355 0.342 1.00 0.00 N ATOM 1544 CA VAL A 97 1.478 -8.748 0.376 1.00 0.00 C ATOM 1545 C VAL A 97 0.269 -9.671 0.266 1.00 0.00 C ATOM 1546 O VAL A 97 -0.607 -9.660 1.132 1.00 0.00 O ATOM 1547 CB VAL A 97 2.245 -9.079 1.672 1.00 0.00 C ATOM 1548 CG1 VAL A 97 3.001 -10.392 1.527 1.00 0.00 C ATOM 1549 CG2 VAL A 97 3.193 -7.948 2.041 1.00 0.00 C ATOM 0 H VAL A 97 1.223 -6.841 1.207 1.00 0.00 H new ATOM 0 HA VAL A 97 2.145 -8.904 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 97 1.521 -9.190 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.536 -10.608 2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.296 -11.197 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.714 -10.313 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.724 -8.203 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.912 -7.798 1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.624 -7.031 2.194 1.00 0.00 H new ATOM 1559 N LYS A 98 0.216 -10.443 -0.816 1.00 0.00 N ATOM 1560 CA LYS A 98 -0.894 -11.360 -1.052 1.00 0.00 C ATOM 1561 C LYS A 98 -0.917 -12.473 -0.010 1.00 0.00 C ATOM 1562 O LYS A 98 0.070 -13.236 0.062 1.00 0.00 O ATOM 1563 CB LYS A 98 -0.794 -11.966 -2.454 1.00 0.00 C ATOM 1564 CG LYS A 98 -1.418 -11.102 -3.538 1.00 0.00 C ATOM 1565 CD LYS A 98 -0.370 -10.588 -4.512 1.00 0.00 C ATOM 1566 CE LYS A 98 -0.210 -11.520 -5.702 1.00 0.00 C ATOM 1567 NZ LYS A 98 -1.399 -11.487 -6.598 1.00 0.00 N ATOM 1568 OXT LYS A 98 -1.923 -12.575 0.724 1.00 0.00 O ATOM 0 H LYS A 98 0.930 -10.451 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.821 -10.792 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.256 -12.133 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.280 -12.942 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.167 -11.680 -4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.935 -10.259 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.653 -9.595 -4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.586 -10.485 -3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.678 -11.238 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.051 -12.538 -5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.132 -11.832 -7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.146 -12.095 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.751 -10.511 -6.672 1.00 0.00 H new TER 1582 LYS A 98