USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 987 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 103 HIS : no HD1:sc= -1.8 K(o=-1.4,f=-3.5) USER MOD Set 1.2: A 123 SER OG : rot -135:sc= 0.402 USER MOD Set 2.1: A 110 GLN : amide:sc= -0.131 K(o=0.57,f=-3.5!) USER MOD Set 2.2: A 112 GLN : amide:sc= 0.7 K(o=0.57,f=-7.2!) USER MOD Set 3.1: A 51 GLN : amide:sc= -1.13 K(o=-1.4,f=-4.8!) USER MOD Set 3.2: A 68 MET CE :methyl -116:sc= 0 (180deg=-0.132) USER MOD Set 3.3: A 99 THR OG1 : rot -150:sc= -0.288 USER MOD Set 4.1: A 40 SER OG : rot -80:sc= 0.928 USER MOD Set 4.2: A 44 ASN : amide:sc= 0 K(o=1.9,f=-1.8!) USER MOD Set 4.3: A 45 SER OG : rot 71:sc= 0.573 USER MOD Set 4.4: A 47 HIS : no HE2:sc= 0.39 K(o=1.9,f=-0.65) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0552 X(o=-0.055,f=-0.057) USER MOD Single : A 4 HIS : no HD1:sc=-0.00161 X(o=-0.0016,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00963 X(o=-0.0096,f=-0.0071) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc=-0.00439 X(o=-0.0044,f=-0.014) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -170:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.205 X(o=-0.21,f=0) USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.416 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 101:sc= 0.729 USER MOD Single : A 29 SER OG : rot -28:sc= 0.557 USER MOD Single : A 33 THR OG1 : rot 90:sc= -2.02 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.0996 X(o=0.1,f=-0.25) USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00357) USER MOD Single : A 61 LYS NZ :NH3+ 156:sc= 0.314 (180deg=-0.451) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -123:sc= 0.925 (180deg=0.539) USER MOD Single : A 65 HIS : no HE2:sc= -0.78 X(o=-0.78,f=-1) USER MOD Single : A 66 ASN : amide:sc= -0.034 K(o=-0.034,f=-2.3!) USER MOD Single : A 67 ASN : amide:sc= -1.15 K(o=-1.2,f=-2.4!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc=-0.00436 X(o=-0.0044,f=-0.094) USER MOD Single : A 76 ASN : amide:sc= 0.369 X(o=0.37,f=-0.023) USER MOD Single : A 77 MET CE :methyl -176:sc= -0.358 (180deg=-0.39) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0354) USER MOD Single : A 85 HIS : no HD1:sc= 0.233 K(o=0.23,f=-0.88) USER MOD Single : A 88 GLN : amide:sc= -0.628 K(o=-0.63,f=-2.5!) USER MOD Single : A 93 LYS NZ :NH3+ -170:sc=-0.00187 (180deg=-0.103) USER MOD Single : A 102 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.54) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 ASN :FLIP amide:sc= -0.101 F(o=-1.3,f=-0.1) USER MOD Single : A 118 LYS NZ :NH3+ -110:sc= -0.109 (180deg=-0.354) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -120:sc= 0.0518 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.451 -26.409 -44.506 1.00 74.13 N ATOM 2 CA MET A 1 14.044 -26.692 -44.117 1.00 73.52 C ATOM 3 C MET A 1 13.470 -25.467 -43.401 1.00 14.25 C ATOM 4 O MET A 1 12.542 -24.821 -43.904 1.00 12.51 O ATOM 5 CB MET A 1 13.966 -27.972 -43.229 1.00 73.15 C ATOM 6 CG MET A 1 12.540 -28.436 -42.872 1.00 41.33 C ATOM 7 SD MET A 1 11.682 -27.325 -41.725 1.00 40.21 S ATOM 8 CE MET A 1 10.061 -28.084 -41.643 1.00 5.34 C ATOM 0 H1 MET A 1 15.850 -27.237 -44.994 1.00 74.13 H new ATOM 0 H2 MET A 1 15.477 -25.587 -45.142 1.00 74.13 H new ATOM 0 H3 MET A 1 16.012 -26.205 -43.655 1.00 74.13 H new ATOM 0 HA MET A 1 13.446 -26.887 -45.007 1.00 73.52 H new ATOM 0 HB2 MET A 1 14.477 -28.785 -43.745 1.00 73.15 H new ATOM 0 HB3 MET A 1 14.513 -27.788 -42.305 1.00 73.15 H new ATOM 0 HG2 MET A 1 11.955 -28.522 -43.788 1.00 41.33 H new ATOM 0 HG3 MET A 1 12.590 -29.432 -42.431 1.00 41.33 H new ATOM 0 HE1 MET A 1 9.423 -27.508 -40.973 1.00 5.34 H new ATOM 0 HE2 MET A 1 9.617 -28.103 -42.639 1.00 5.34 H new ATOM 0 HE3 MET A 1 10.155 -29.103 -41.268 1.00 5.34 H new ATOM 20 N GLY A 2 14.036 -25.145 -42.230 1.00 70.23 N ATOM 21 CA GLY A 2 13.602 -23.995 -41.449 1.00 53.35 C ATOM 22 C GLY A 2 14.534 -23.717 -40.277 1.00 72.43 C ATOM 23 O GLY A 2 14.926 -24.640 -39.570 1.00 50.15 O ATOM 0 H GLY A 2 14.799 -25.673 -41.807 1.00 70.23 H new ATOM 0 HA2 GLY A 2 13.556 -23.116 -42.092 1.00 53.35 H new ATOM 0 HA3 GLY A 2 12.593 -24.170 -41.076 1.00 53.35 H new ATOM 27 N HIS A 3 14.917 -22.442 -40.100 1.00 32.32 N ATOM 28 CA HIS A 3 15.662 -21.968 -38.914 1.00 70.54 C ATOM 29 C HIS A 3 14.673 -21.244 -37.955 1.00 20.24 C ATOM 30 O HIS A 3 15.072 -20.531 -37.025 1.00 14.24 O ATOM 31 CB HIS A 3 16.811 -21.030 -39.387 1.00 21.34 C ATOM 32 CG HIS A 3 17.807 -20.647 -38.316 1.00 12.23 C ATOM 33 ND1 HIS A 3 17.881 -19.387 -37.760 1.00 65.33 N ATOM 34 CD2 HIS A 3 18.785 -21.365 -37.719 1.00 40.31 C ATOM 35 CE1 HIS A 3 18.853 -19.347 -36.874 1.00 51.32 C ATOM 36 NE2 HIS A 3 19.415 -20.533 -36.832 1.00 2.53 N ATOM 0 H HIS A 3 14.719 -21.705 -40.777 1.00 32.32 H new ATOM 0 HA HIS A 3 16.109 -22.800 -38.369 1.00 70.54 H new ATOM 0 HB2 HIS A 3 17.346 -21.519 -40.201 1.00 21.34 H new ATOM 0 HB3 HIS A 3 16.372 -20.120 -39.795 1.00 21.34 H new ATOM 0 HD2 HIS A 3 19.025 -22.401 -37.907 1.00 40.31 H new ATOM 0 HE1 HIS A 3 19.139 -18.489 -36.284 1.00 51.32 H new ATOM 0 HE2 HIS A 3 20.198 -20.794 -36.233 1.00 2.53 H new ATOM 45 N HIS A 4 13.365 -21.479 -38.205 1.00 44.44 N ATOM 46 CA HIS A 4 12.246 -20.859 -37.478 1.00 74.33 C ATOM 47 C HIS A 4 12.238 -21.308 -36.010 1.00 33.21 C ATOM 48 O HIS A 4 12.296 -22.510 -35.714 1.00 62.12 O ATOM 49 CB HIS A 4 10.908 -21.258 -38.167 1.00 52.13 C ATOM 50 CG HIS A 4 9.673 -20.518 -37.699 1.00 61.31 C ATOM 51 ND1 HIS A 4 8.985 -19.636 -38.507 1.00 14.44 N ATOM 52 CD2 HIS A 4 8.984 -20.547 -36.525 1.00 41.43 C ATOM 53 CE1 HIS A 4 7.942 -19.161 -37.859 1.00 40.13 C ATOM 54 NE2 HIS A 4 7.917 -19.696 -36.658 1.00 54.41 N ATOM 0 H HIS A 4 13.056 -22.120 -38.936 1.00 44.44 H new ATOM 0 HA HIS A 4 12.362 -19.775 -37.500 1.00 74.33 H new ATOM 0 HB2 HIS A 4 11.015 -21.103 -39.241 1.00 52.13 H new ATOM 0 HB3 HIS A 4 10.748 -22.325 -38.014 1.00 52.13 H new ATOM 0 HD2 HIS A 4 9.232 -21.132 -35.651 1.00 41.43 H new ATOM 0 HE1 HIS A 4 7.227 -18.451 -38.248 1.00 40.13 H new ATOM 0 HE2 HIS A 4 7.217 -19.508 -35.941 1.00 54.41 H new ATOM 63 N HIS A 5 12.160 -20.337 -35.100 1.00 12.30 N ATOM 64 CA HIS A 5 12.069 -20.595 -33.657 1.00 21.44 C ATOM 65 C HIS A 5 10.772 -19.999 -33.113 1.00 3.44 C ATOM 66 O HIS A 5 10.264 -19.010 -33.642 1.00 3.23 O ATOM 67 CB HIS A 5 13.293 -20.005 -32.913 1.00 52.34 C ATOM 68 CG HIS A 5 14.619 -20.573 -33.368 1.00 44.52 C ATOM 69 ND1 HIS A 5 15.693 -19.791 -33.735 1.00 33.13 N ATOM 70 CD2 HIS A 5 15.044 -21.856 -33.504 1.00 2.31 C ATOM 71 CE1 HIS A 5 16.708 -20.563 -34.071 1.00 11.31 C ATOM 72 NE2 HIS A 5 16.339 -21.816 -33.938 1.00 70.51 N ATOM 0 H HIS A 5 12.158 -19.346 -35.340 1.00 12.30 H new ATOM 0 HA HIS A 5 12.066 -21.672 -33.491 1.00 21.44 H new ATOM 0 HB2 HIS A 5 13.305 -18.924 -33.053 1.00 52.34 H new ATOM 0 HB3 HIS A 5 13.179 -20.187 -31.844 1.00 52.34 H new ATOM 0 HD2 HIS A 5 14.464 -22.745 -33.305 1.00 2.31 H new ATOM 0 HE1 HIS A 5 17.679 -20.222 -34.400 1.00 11.31 H new ATOM 0 HE2 HIS A 5 16.925 -22.629 -34.128 1.00 70.51 H new ATOM 81 N HIS A 6 10.251 -20.614 -32.054 1.00 64.35 N ATOM 82 CA HIS A 6 9.024 -20.178 -31.395 1.00 65.41 C ATOM 83 C HIS A 6 9.088 -20.602 -29.928 1.00 41.15 C ATOM 84 O HIS A 6 8.947 -21.788 -29.598 1.00 0.35 O ATOM 85 CB HIS A 6 7.771 -20.771 -32.108 1.00 5.41 C ATOM 86 CG HIS A 6 6.445 -20.170 -31.674 1.00 44.12 C ATOM 87 ND1 HIS A 6 5.627 -19.455 -32.526 1.00 40.40 N ATOM 88 CD2 HIS A 6 5.792 -20.194 -30.484 1.00 75.55 C ATOM 89 CE1 HIS A 6 4.546 -19.063 -31.880 1.00 14.41 C ATOM 90 NE2 HIS A 6 4.623 -19.497 -30.642 1.00 62.43 N ATOM 0 H HIS A 6 10.674 -21.437 -31.625 1.00 64.35 H new ATOM 0 HA HIS A 6 8.935 -19.093 -31.453 1.00 65.41 H new ATOM 0 HB2 HIS A 6 7.882 -20.631 -33.183 1.00 5.41 H new ATOM 0 HB3 HIS A 6 7.743 -21.846 -31.928 1.00 5.41 H new ATOM 0 HD2 HIS A 6 6.132 -20.675 -29.578 1.00 75.55 H new ATOM 0 HE1 HIS A 6 3.736 -18.484 -32.297 1.00 14.41 H new ATOM 0 HE2 HIS A 6 3.925 -19.340 -29.915 1.00 62.43 H new ATOM 99 N HIS A 7 9.335 -19.622 -29.062 1.00 4.43 N ATOM 100 CA HIS A 7 9.352 -19.798 -27.609 1.00 13.53 C ATOM 101 C HIS A 7 8.615 -18.633 -26.954 1.00 44.32 C ATOM 102 O HIS A 7 8.677 -17.493 -27.438 1.00 14.54 O ATOM 103 CB HIS A 7 10.807 -19.872 -27.067 1.00 25.51 C ATOM 104 CG HIS A 7 11.507 -21.184 -27.320 1.00 51.45 C ATOM 105 ND1 HIS A 7 12.677 -21.301 -28.047 1.00 4.42 N ATOM 106 CD2 HIS A 7 11.213 -22.441 -26.902 1.00 63.21 C ATOM 107 CE1 HIS A 7 13.062 -22.560 -28.058 1.00 75.21 C ATOM 108 NE2 HIS A 7 12.195 -23.265 -27.373 1.00 33.05 N ATOM 0 H HIS A 7 9.533 -18.665 -29.354 1.00 4.43 H new ATOM 0 HA HIS A 7 8.856 -20.738 -27.367 1.00 13.53 H new ATOM 0 HB2 HIS A 7 11.391 -19.071 -27.521 1.00 25.51 H new ATOM 0 HB3 HIS A 7 10.790 -19.686 -25.993 1.00 25.51 H new ATOM 0 HD2 HIS A 7 10.361 -22.735 -26.307 1.00 63.21 H new ATOM 0 HE1 HIS A 7 13.943 -22.946 -28.548 1.00 75.21 H new ATOM 0 HE2 HIS A 7 12.246 -24.272 -27.216 1.00 33.05 H new ATOM 117 N HIS A 8 7.925 -18.935 -25.849 1.00 22.34 N ATOM 118 CA HIS A 8 7.267 -17.929 -25.019 1.00 44.21 C ATOM 119 C HIS A 8 7.469 -18.323 -23.555 1.00 74.41 C ATOM 120 O HIS A 8 6.619 -18.995 -22.953 1.00 34.40 O ATOM 121 CB HIS A 8 5.762 -17.788 -25.391 1.00 32.24 C ATOM 122 CG HIS A 8 5.069 -16.612 -24.744 1.00 51.35 C ATOM 123 ND1 HIS A 8 4.970 -15.376 -25.344 1.00 61.02 N ATOM 124 CD2 HIS A 8 4.421 -16.499 -23.556 1.00 31.42 C ATOM 125 CE1 HIS A 8 4.298 -14.558 -24.559 1.00 3.20 C ATOM 126 NE2 HIS A 8 3.953 -15.211 -23.470 1.00 63.44 N ATOM 0 H HIS A 8 7.809 -19.889 -25.507 1.00 22.34 H new ATOM 0 HA HIS A 8 7.708 -16.947 -25.191 1.00 44.21 H new ATOM 0 HB2 HIS A 8 5.675 -17.696 -26.474 1.00 32.24 H new ATOM 0 HB3 HIS A 8 5.242 -18.703 -25.106 1.00 32.24 H new ATOM 0 HD2 HIS A 8 4.297 -17.277 -22.817 1.00 31.42 H new ATOM 0 HE1 HIS A 8 4.069 -13.525 -24.774 1.00 3.20 H new ATOM 0 HE2 HIS A 8 3.424 -14.823 -22.689 1.00 63.44 H new ATOM 135 N SER A 9 8.643 -17.959 -23.019 1.00 1.25 N ATOM 136 CA SER A 9 9.012 -18.253 -21.631 1.00 30.11 C ATOM 137 C SER A 9 8.084 -17.500 -20.654 1.00 33.32 C ATOM 138 O SER A 9 8.044 -16.271 -20.654 1.00 34.54 O ATOM 139 CB SER A 9 10.496 -17.883 -21.387 1.00 70.20 C ATOM 140 OG SER A 9 11.347 -18.571 -22.290 1.00 75.15 O ATOM 0 H SER A 9 9.361 -17.453 -23.537 1.00 1.25 H new ATOM 0 HA SER A 9 8.891 -19.321 -21.451 1.00 30.11 H new ATOM 0 HB2 SER A 9 10.630 -16.808 -21.503 1.00 70.20 H new ATOM 0 HB3 SER A 9 10.772 -18.130 -20.362 1.00 70.20 H new ATOM 0 HG SER A 9 12.278 -18.320 -22.118 1.00 75.15 H new ATOM 146 N HIS A 10 7.313 -18.255 -19.861 1.00 24.23 N ATOM 147 CA HIS A 10 6.425 -17.707 -18.819 1.00 31.42 C ATOM 148 C HIS A 10 6.347 -18.722 -17.668 1.00 11.54 C ATOM 149 O HIS A 10 6.304 -19.938 -17.918 1.00 40.24 O ATOM 150 CB HIS A 10 5.007 -17.393 -19.388 1.00 75.41 C ATOM 151 CG HIS A 10 4.147 -18.599 -19.666 1.00 50.02 C ATOM 152 ND1 HIS A 10 3.001 -18.873 -18.957 1.00 43.04 N ATOM 153 CD2 HIS A 10 4.278 -19.608 -20.564 1.00 22.45 C ATOM 154 CE1 HIS A 10 2.467 -19.989 -19.399 1.00 3.53 C ATOM 155 NE2 HIS A 10 3.219 -20.458 -20.372 1.00 41.03 N ATOM 0 H HIS A 10 7.285 -19.273 -19.923 1.00 24.23 H new ATOM 0 HA HIS A 10 6.831 -16.764 -18.453 1.00 31.42 H new ATOM 0 HB2 HIS A 10 4.484 -16.748 -18.682 1.00 75.41 H new ATOM 0 HB3 HIS A 10 5.121 -16.827 -20.312 1.00 75.41 H new ATOM 0 HD2 HIS A 10 5.067 -19.720 -21.292 1.00 22.45 H new ATOM 0 HE1 HIS A 10 1.562 -20.445 -19.026 1.00 3.53 H new ATOM 0 HE2 HIS A 10 3.043 -21.314 -20.898 1.00 41.03 H new ATOM 164 N MET A 11 6.327 -18.238 -16.421 1.00 11.25 N ATOM 165 CA MET A 11 6.279 -19.113 -15.247 1.00 14.13 C ATOM 166 C MET A 11 5.706 -18.333 -14.070 1.00 23.33 C ATOM 167 O MET A 11 6.407 -17.521 -13.450 1.00 42.31 O ATOM 168 CB MET A 11 7.695 -19.677 -14.913 1.00 12.13 C ATOM 169 CG MET A 11 7.698 -20.891 -13.970 1.00 31.25 C ATOM 170 SD MET A 11 6.844 -22.317 -14.692 1.00 3.32 S ATOM 171 CE MET A 11 7.225 -23.632 -13.532 1.00 34.13 C ATOM 0 H MET A 11 6.343 -17.242 -16.200 1.00 11.25 H new ATOM 0 HA MET A 11 5.635 -19.967 -15.458 1.00 14.13 H new ATOM 0 HB2 MET A 11 8.189 -19.956 -15.844 1.00 12.13 H new ATOM 0 HB3 MET A 11 8.290 -18.883 -14.462 1.00 12.13 H new ATOM 0 HG2 MET A 11 8.727 -21.165 -13.736 1.00 31.25 H new ATOM 0 HG3 MET A 11 7.219 -20.620 -13.029 1.00 31.25 H new ATOM 0 HE1 MET A 11 6.757 -24.558 -13.865 1.00 34.13 H new ATOM 0 HE2 MET A 11 8.305 -23.769 -13.480 1.00 34.13 H new ATOM 0 HE3 MET A 11 6.845 -23.368 -12.545 1.00 34.13 H new ATOM 181 N ALA A 12 4.409 -18.535 -13.818 1.00 32.33 N ATOM 182 CA ALA A 12 3.714 -17.977 -12.659 1.00 72.41 C ATOM 183 C ALA A 12 4.274 -18.615 -11.378 1.00 21.33 C ATOM 184 O ALA A 12 3.803 -19.670 -10.933 1.00 42.53 O ATOM 185 CB ALA A 12 2.197 -18.195 -12.793 1.00 61.24 C ATOM 0 H ALA A 12 3.808 -19.097 -14.421 1.00 32.33 H new ATOM 0 HA ALA A 12 3.882 -16.901 -12.606 1.00 72.41 H new ATOM 0 HB1 ALA A 12 1.691 -17.775 -11.924 1.00 61.24 H new ATOM 0 HB2 ALA A 12 1.837 -17.702 -13.696 1.00 61.24 H new ATOM 0 HB3 ALA A 12 1.987 -19.263 -12.854 1.00 61.24 H new ATOM 191 N GLY A 13 5.343 -17.997 -10.849 1.00 60.42 N ATOM 192 CA GLY A 13 6.066 -18.522 -9.700 1.00 71.43 C ATOM 193 C GLY A 13 5.319 -18.283 -8.396 1.00 65.15 C ATOM 194 O GLY A 13 4.988 -17.130 -8.101 1.00 41.43 O ATOM 0 H GLY A 13 5.722 -17.122 -11.211 1.00 60.42 H new ATOM 0 HA2 GLY A 13 6.230 -19.591 -9.833 1.00 71.43 H new ATOM 0 HA3 GLY A 13 7.049 -18.054 -9.646 1.00 71.43 H new ATOM 198 N PRO A 14 5.006 -19.348 -7.589 1.00 52.31 N ATOM 199 CA PRO A 14 4.415 -19.178 -6.250 1.00 54.23 C ATOM 200 C PRO A 14 5.476 -18.638 -5.273 1.00 2.34 C ATOM 201 O PRO A 14 6.039 -19.380 -4.463 1.00 43.13 O ATOM 202 CB PRO A 14 3.912 -20.611 -5.873 1.00 0.11 C ATOM 203 CG PRO A 14 4.073 -21.441 -7.125 1.00 0.05 C ATOM 204 CD PRO A 14 5.191 -20.789 -7.904 1.00 42.25 C ATOM 0 HA PRO A 14 3.599 -18.456 -6.215 1.00 54.23 H new ATOM 0 HB2 PRO A 14 4.493 -21.026 -5.050 1.00 0.11 H new ATOM 0 HB3 PRO A 14 2.872 -20.588 -5.549 1.00 0.11 H new ATOM 0 HG2 PRO A 14 4.316 -22.475 -6.881 1.00 0.05 H new ATOM 0 HG3 PRO A 14 3.150 -21.459 -7.705 1.00 0.05 H new ATOM 0 HD2 PRO A 14 6.170 -21.151 -7.589 1.00 42.25 H new ATOM 0 HD3 PRO A 14 5.108 -20.984 -8.973 1.00 42.25 H new ATOM 212 N SER A 15 5.763 -17.337 -5.411 1.00 51.40 N ATOM 213 CA SER A 15 6.841 -16.656 -4.699 1.00 30.13 C ATOM 214 C SER A 15 6.614 -16.648 -3.181 1.00 53.24 C ATOM 215 O SER A 15 5.495 -16.828 -2.703 1.00 54.34 O ATOM 216 CB SER A 15 7.000 -15.225 -5.258 1.00 64.21 C ATOM 217 OG SER A 15 7.444 -15.258 -6.599 1.00 73.44 O ATOM 0 H SER A 15 5.240 -16.721 -6.033 1.00 51.40 H new ATOM 0 HA SER A 15 7.767 -17.206 -4.864 1.00 30.13 H new ATOM 0 HB2 SER A 15 6.048 -14.698 -5.198 1.00 64.21 H new ATOM 0 HB3 SER A 15 7.711 -14.668 -4.648 1.00 64.21 H new ATOM 0 HG SER A 15 7.689 -14.353 -6.885 1.00 73.44 H new ATOM 223 N ASN A 16 7.696 -16.406 -2.441 1.00 23.44 N ATOM 224 CA ASN A 16 7.726 -16.506 -0.964 1.00 74.54 C ATOM 225 C ASN A 16 7.285 -15.176 -0.311 1.00 31.30 C ATOM 226 O ASN A 16 7.694 -14.852 0.813 1.00 61.14 O ATOM 227 CB ASN A 16 9.169 -16.889 -0.527 1.00 61.21 C ATOM 228 CG ASN A 16 9.673 -18.193 -1.164 1.00 34.42 C ATOM 229 OD1 ASN A 16 9.552 -19.270 -0.579 1.00 71.02 O ATOM 230 ND2 ASN A 16 10.220 -18.107 -2.373 1.00 15.23 N ATOM 0 H ASN A 16 8.591 -16.131 -2.845 1.00 23.44 H new ATOM 0 HA ASN A 16 7.026 -17.273 -0.633 1.00 74.54 H new ATOM 0 HB2 ASN A 16 9.848 -16.078 -0.791 1.00 61.21 H new ATOM 0 HB3 ASN A 16 9.198 -16.988 0.558 1.00 61.21 H new ATOM 0 HD21 ASN A 16 10.554 -18.949 -2.843 1.00 15.23 H new ATOM 0 HD22 ASN A 16 10.306 -17.199 -2.831 1.00 15.23 H new ATOM 237 N VAL A 17 6.415 -14.429 -1.020 1.00 23.10 N ATOM 238 CA VAL A 17 5.968 -13.084 -0.629 1.00 2.15 C ATOM 239 C VAL A 17 5.053 -13.169 0.614 1.00 13.13 C ATOM 240 O VAL A 17 4.133 -13.994 0.631 1.00 32.14 O ATOM 241 CB VAL A 17 5.197 -12.381 -1.813 1.00 32.01 C ATOM 242 CG1 VAL A 17 4.787 -10.939 -1.453 1.00 61.22 C ATOM 243 CG2 VAL A 17 6.035 -12.408 -3.110 1.00 10.31 C ATOM 0 H VAL A 17 5.999 -14.752 -1.894 1.00 23.10 H new ATOM 0 HA VAL A 17 6.849 -12.489 -0.388 1.00 2.15 H new ATOM 0 HB VAL A 17 4.281 -12.946 -1.985 1.00 32.01 H new ATOM 0 HG11 VAL A 17 4.259 -10.490 -2.294 1.00 61.22 H new ATOM 0 HG12 VAL A 17 4.134 -10.954 -0.581 1.00 61.22 H new ATOM 0 HG13 VAL A 17 5.678 -10.352 -1.229 1.00 61.22 H new ATOM 0 HG21 VAL A 17 5.482 -11.917 -3.911 1.00 10.31 H new ATOM 0 HG22 VAL A 17 6.977 -11.884 -2.946 1.00 10.31 H new ATOM 0 HG23 VAL A 17 6.239 -13.442 -3.390 1.00 10.31 H new ATOM 253 N PRO A 18 5.311 -12.349 1.684 1.00 25.11 N ATOM 254 CA PRO A 18 4.408 -12.255 2.863 1.00 71.45 C ATOM 255 C PRO A 18 2.975 -11.858 2.438 1.00 51.03 C ATOM 256 O PRO A 18 2.824 -11.021 1.542 1.00 34.11 O ATOM 257 CB PRO A 18 5.069 -11.148 3.738 1.00 62.11 C ATOM 258 CG PRO A 18 6.508 -11.135 3.311 1.00 61.01 C ATOM 259 CD PRO A 18 6.492 -11.459 1.833 1.00 54.04 C ATOM 0 HA PRO A 18 4.299 -13.202 3.392 1.00 71.45 H new ATOM 0 HB2 PRO A 18 4.598 -10.179 3.573 1.00 62.11 H new ATOM 0 HB3 PRO A 18 4.973 -11.373 4.800 1.00 62.11 H new ATOM 0 HG2 PRO A 18 6.964 -10.162 3.495 1.00 61.01 H new ATOM 0 HG3 PRO A 18 7.090 -11.870 3.868 1.00 61.01 H new ATOM 0 HD2 PRO A 18 6.395 -10.559 1.226 1.00 54.04 H new ATOM 0 HD3 PRO A 18 7.411 -11.956 1.521 1.00 54.04 H new ATOM 267 N ALA A 19 1.951 -12.451 3.088 1.00 55.21 N ATOM 268 CA ALA A 19 0.530 -12.291 2.715 1.00 32.20 C ATOM 269 C ALA A 19 0.086 -10.822 2.657 1.00 43.04 C ATOM 270 O ALA A 19 -0.722 -10.463 1.798 1.00 14.12 O ATOM 271 CB ALA A 19 -0.360 -13.079 3.679 1.00 14.43 C ATOM 0 H ALA A 19 2.089 -13.060 3.894 1.00 55.21 H new ATOM 0 HA ALA A 19 0.421 -12.689 1.706 1.00 32.20 H new ATOM 0 HB1 ALA A 19 -1.405 -12.954 3.395 1.00 14.43 H new ATOM 0 HB2 ALA A 19 -0.096 -14.136 3.636 1.00 14.43 H new ATOM 0 HB3 ALA A 19 -0.214 -12.709 4.694 1.00 14.43 H new ATOM 277 N PHE A 20 0.616 -9.982 3.580 1.00 64.54 N ATOM 278 CA PHE A 20 0.396 -8.521 3.560 1.00 61.24 C ATOM 279 C PHE A 20 0.727 -7.902 2.182 1.00 42.23 C ATOM 280 O PHE A 20 -0.041 -7.103 1.665 1.00 54.41 O ATOM 281 CB PHE A 20 1.236 -7.824 4.670 1.00 14.11 C ATOM 282 CG PHE A 20 1.085 -6.299 4.694 1.00 75.51 C ATOM 283 CD1 PHE A 20 -0.053 -5.705 5.233 1.00 34.04 C ATOM 284 CD2 PHE A 20 2.058 -5.462 4.135 1.00 52.11 C ATOM 285 CE1 PHE A 20 -0.209 -4.331 5.231 1.00 14.44 C ATOM 286 CE2 PHE A 20 1.899 -4.090 4.130 1.00 24.33 C ATOM 287 CZ PHE A 20 0.763 -3.525 4.672 1.00 21.34 C ATOM 0 H PHE A 20 1.203 -10.298 4.352 1.00 64.54 H new ATOM 0 HA PHE A 20 -0.664 -8.356 3.753 1.00 61.24 H new ATOM 0 HB2 PHE A 20 0.942 -8.224 5.640 1.00 14.11 H new ATOM 0 HB3 PHE A 20 2.287 -8.074 4.528 1.00 14.11 H new ATOM 0 HD1 PHE A 20 -0.826 -6.327 5.659 1.00 34.04 H new ATOM 0 HD2 PHE A 20 2.947 -5.896 3.701 1.00 52.11 H new ATOM 0 HE1 PHE A 20 -1.092 -3.888 5.667 1.00 14.44 H new ATOM 0 HE2 PHE A 20 2.664 -3.459 3.702 1.00 24.33 H new ATOM 0 HZ PHE A 20 0.634 -2.453 4.659 1.00 21.34 H new ATOM 297 N LEU A 21 1.852 -8.320 1.593 1.00 1.13 N ATOM 298 CA LEU A 21 2.387 -7.729 0.351 1.00 0.32 C ATOM 299 C LEU A 21 1.720 -8.361 -0.870 1.00 71.30 C ATOM 300 O LEU A 21 1.585 -7.723 -1.911 1.00 31.52 O ATOM 301 CB LEU A 21 3.920 -7.929 0.290 1.00 24.11 C ATOM 302 CG LEU A 21 4.749 -7.164 1.359 1.00 53.22 C ATOM 303 CD1 LEU A 21 6.229 -7.586 1.300 1.00 22.34 C ATOM 304 CD2 LEU A 21 4.592 -5.642 1.183 1.00 42.55 C ATOM 0 H LEU A 21 2.423 -9.080 1.962 1.00 1.13 H new ATOM 0 HA LEU A 21 2.170 -6.661 0.347 1.00 0.32 H new ATOM 0 HB2 LEU A 21 4.132 -8.994 0.388 1.00 24.11 H new ATOM 0 HB3 LEU A 21 4.267 -7.624 -0.697 1.00 24.11 H new ATOM 0 HG LEU A 21 4.367 -7.425 2.346 1.00 53.22 H new ATOM 0 HD11 LEU A 21 6.793 -7.040 2.056 1.00 22.34 H new ATOM 0 HD12 LEU A 21 6.310 -8.656 1.490 1.00 22.34 H new ATOM 0 HD13 LEU A 21 6.632 -7.361 0.313 1.00 22.34 H new ATOM 0 HD21 LEU A 21 5.180 -5.125 1.941 1.00 42.55 H new ATOM 0 HD22 LEU A 21 4.942 -5.352 0.192 1.00 42.55 H new ATOM 0 HD23 LEU A 21 3.542 -5.370 1.291 1.00 42.55 H new ATOM 316 N THR A 22 1.326 -9.626 -0.706 1.00 31.25 N ATOM 317 CA THR A 22 0.560 -10.380 -1.688 1.00 2.44 C ATOM 318 C THR A 22 -0.804 -9.704 -1.949 1.00 33.43 C ATOM 319 O THR A 22 -1.266 -9.627 -3.089 1.00 51.23 O ATOM 320 CB THR A 22 0.344 -11.841 -1.165 1.00 15.23 C ATOM 321 OG1 THR A 22 1.602 -12.414 -0.786 1.00 45.04 O ATOM 322 CG2 THR A 22 -0.319 -12.739 -2.199 1.00 42.25 C ATOM 0 H THR A 22 1.538 -10.163 0.135 1.00 31.25 H new ATOM 0 HA THR A 22 1.113 -10.406 -2.627 1.00 2.44 H new ATOM 0 HB THR A 22 -0.322 -11.775 -0.305 1.00 15.23 H new ATOM 0 HG1 THR A 22 1.898 -12.022 0.062 1.00 45.04 H new ATOM 0 HG21 THR A 22 -0.445 -13.739 -1.785 1.00 42.25 H new ATOM 0 HG22 THR A 22 -1.294 -12.330 -2.464 1.00 42.25 H new ATOM 0 HG23 THR A 22 0.307 -12.791 -3.090 1.00 42.25 H new ATOM 330 N LYS A 23 -1.420 -9.198 -0.868 1.00 64.14 N ATOM 331 CA LYS A 23 -2.698 -8.481 -0.942 1.00 61.23 C ATOM 332 C LYS A 23 -2.475 -7.033 -1.392 1.00 44.12 C ATOM 333 O LYS A 23 -3.159 -6.560 -2.294 1.00 61.42 O ATOM 334 CB LYS A 23 -3.425 -8.522 0.432 1.00 54.13 C ATOM 335 CG LYS A 23 -3.779 -9.925 0.990 1.00 24.21 C ATOM 336 CD LYS A 23 -4.871 -10.698 0.194 1.00 33.54 C ATOM 337 CE LYS A 23 -4.357 -11.393 -1.079 1.00 52.12 C ATOM 338 NZ LYS A 23 -5.436 -12.148 -1.780 1.00 41.02 N ATOM 0 H LYS A 23 -1.045 -9.275 0.078 1.00 64.14 H new ATOM 0 HA LYS A 23 -3.330 -8.976 -1.679 1.00 61.23 H new ATOM 0 HB2 LYS A 23 -2.798 -8.013 1.164 1.00 54.13 H new ATOM 0 HB3 LYS A 23 -4.347 -7.947 0.347 1.00 54.13 H new ATOM 0 HG2 LYS A 23 -2.872 -10.529 1.012 1.00 24.21 H new ATOM 0 HG3 LYS A 23 -4.114 -9.814 2.021 1.00 24.21 H new ATOM 0 HD2 LYS A 23 -5.318 -11.447 0.847 1.00 33.54 H new ATOM 0 HD3 LYS A 23 -5.664 -10.002 -0.081 1.00 33.54 H new ATOM 0 HE2 LYS A 23 -3.939 -10.647 -1.755 1.00 52.12 H new ATOM 0 HE3 LYS A 23 -3.548 -12.076 -0.818 1.00 52.12 H new ATOM 0 HZ1 LYS A 23 -5.046 -12.600 -2.632 1.00 41.02 H new ATOM 0 HZ2 LYS A 23 -5.818 -12.877 -1.145 1.00 41.02 H new ATOM 0 HZ3 LYS A 23 -6.197 -11.493 -2.053 1.00 41.02 H new ATOM 352 N LEU A 24 -1.496 -6.361 -0.754 1.00 53.12 N ATOM 353 CA LEU A 24 -1.177 -4.941 -0.992 1.00 51.21 C ATOM 354 C LEU A 24 -0.856 -4.649 -2.468 1.00 73.53 C ATOM 355 O LEU A 24 -1.430 -3.736 -3.039 1.00 64.21 O ATOM 356 CB LEU A 24 -0.001 -4.491 -0.086 1.00 5.10 C ATOM 357 CG LEU A 24 0.437 -2.998 -0.215 1.00 71.10 C ATOM 358 CD1 LEU A 24 -0.721 -2.027 0.113 1.00 43.14 C ATOM 359 CD2 LEU A 24 1.681 -2.710 0.656 1.00 21.34 C ATOM 0 H LEU A 24 -0.898 -6.795 -0.051 1.00 53.12 H new ATOM 0 HA LEU A 24 -2.068 -4.367 -0.738 1.00 51.21 H new ATOM 0 HB2 LEU A 24 -0.277 -4.679 0.952 1.00 5.10 H new ATOM 0 HB3 LEU A 24 0.861 -5.121 -0.305 1.00 5.10 H new ATOM 0 HG LEU A 24 0.709 -2.826 -1.256 1.00 71.10 H new ATOM 0 HD11 LEU A 24 -0.374 -0.999 0.011 1.00 43.14 H new ATOM 0 HD12 LEU A 24 -1.548 -2.201 -0.576 1.00 43.14 H new ATOM 0 HD13 LEU A 24 -1.059 -2.196 1.135 1.00 43.14 H new ATOM 0 HD21 LEU A 24 1.966 -1.663 0.549 1.00 21.34 H new ATOM 0 HD22 LEU A 24 1.450 -2.918 1.701 1.00 21.34 H new ATOM 0 HD23 LEU A 24 2.506 -3.346 0.334 1.00 21.34 H new ATOM 371 N TRP A 25 0.047 -5.438 -3.073 1.00 33.24 N ATOM 372 CA TRP A 25 0.431 -5.274 -4.491 1.00 72.24 C ATOM 373 C TRP A 25 -0.803 -5.401 -5.419 1.00 3.12 C ATOM 374 O TRP A 25 -1.030 -4.555 -6.290 1.00 63.54 O ATOM 375 CB TRP A 25 1.512 -6.319 -4.875 1.00 75.20 C ATOM 376 CG TRP A 25 2.074 -6.148 -6.274 1.00 72.31 C ATOM 377 CD1 TRP A 25 3.167 -5.405 -6.638 1.00 70.04 C ATOM 378 CD2 TRP A 25 1.563 -6.725 -7.490 1.00 73.21 C ATOM 379 NE1 TRP A 25 3.366 -5.492 -7.992 1.00 64.23 N ATOM 380 CE2 TRP A 25 2.391 -6.292 -8.536 1.00 34.34 C ATOM 381 CE3 TRP A 25 0.479 -7.565 -7.790 1.00 54.15 C ATOM 382 CZ2 TRP A 25 2.176 -6.673 -9.858 1.00 12.32 C ATOM 383 CZ3 TRP A 25 0.264 -7.939 -9.102 1.00 42.23 C ATOM 384 CH2 TRP A 25 1.111 -7.492 -10.124 1.00 1.40 C ATOM 0 H TRP A 25 0.530 -6.202 -2.601 1.00 33.24 H new ATOM 0 HA TRP A 25 0.846 -4.275 -4.621 1.00 72.24 H new ATOM 0 HB2 TRP A 25 2.330 -6.259 -4.157 1.00 75.20 H new ATOM 0 HB3 TRP A 25 1.083 -7.317 -4.787 1.00 75.20 H new ATOM 0 HD1 TRP A 25 3.782 -4.834 -5.958 1.00 70.04 H new ATOM 0 HE1 TRP A 25 4.117 -5.036 -8.511 1.00 64.23 H new ATOM 0 HE3 TRP A 25 -0.177 -7.914 -7.006 1.00 54.15 H new ATOM 0 HZ2 TRP A 25 2.829 -6.333 -10.649 1.00 12.32 H new ATOM 0 HZ3 TRP A 25 -0.568 -8.584 -9.343 1.00 42.23 H new ATOM 0 HH2 TRP A 25 0.921 -7.799 -11.142 1.00 1.40 H new ATOM 395 N THR A 26 -1.604 -6.456 -5.183 1.00 43.42 N ATOM 396 CA THR A 26 -2.826 -6.739 -5.964 1.00 71.43 C ATOM 397 C THR A 26 -3.930 -5.681 -5.693 1.00 1.03 C ATOM 398 O THR A 26 -4.820 -5.467 -6.523 1.00 23.22 O ATOM 399 CB THR A 26 -3.336 -8.178 -5.625 1.00 35.42 C ATOM 400 OG1 THR A 26 -2.249 -9.102 -5.773 1.00 15.42 O ATOM 401 CG2 THR A 26 -4.500 -8.636 -6.525 1.00 53.34 C ATOM 0 H THR A 26 -1.424 -7.137 -4.446 1.00 43.42 H new ATOM 0 HA THR A 26 -2.584 -6.684 -7.025 1.00 71.43 H new ATOM 0 HB THR A 26 -3.708 -8.154 -4.601 1.00 35.42 H new ATOM 0 HG1 THR A 26 -1.877 -9.313 -4.891 1.00 15.42 H new ATOM 0 HG21 THR A 26 -4.807 -9.642 -6.239 1.00 53.34 H new ATOM 0 HG22 THR A 26 -5.341 -7.952 -6.408 1.00 53.34 H new ATOM 0 HG23 THR A 26 -4.176 -8.638 -7.566 1.00 53.34 H new ATOM 409 N LEU A 27 -3.833 -5.012 -4.534 1.00 12.44 N ATOM 410 CA LEU A 27 -4.724 -3.913 -4.132 1.00 33.33 C ATOM 411 C LEU A 27 -4.393 -2.630 -4.914 1.00 54.21 C ATOM 412 O LEU A 27 -5.291 -1.927 -5.390 1.00 14.40 O ATOM 413 CB LEU A 27 -4.569 -3.687 -2.600 1.00 72.53 C ATOM 414 CG LEU A 27 -5.263 -2.439 -2.000 1.00 61.41 C ATOM 415 CD1 LEU A 27 -6.755 -2.440 -2.334 1.00 51.15 C ATOM 416 CD2 LEU A 27 -5.012 -2.339 -0.471 1.00 74.55 C ATOM 0 H LEU A 27 -3.119 -5.224 -3.837 1.00 12.44 H new ATOM 0 HA LEU A 27 -5.758 -4.173 -4.360 1.00 33.33 H new ATOM 0 HB2 LEU A 27 -4.954 -4.568 -2.087 1.00 72.53 H new ATOM 0 HB3 LEU A 27 -3.505 -3.625 -2.373 1.00 72.53 H new ATOM 0 HG LEU A 27 -4.824 -1.550 -2.454 1.00 61.41 H new ATOM 0 HD11 LEU A 27 -7.225 -1.555 -1.904 1.00 51.15 H new ATOM 0 HD12 LEU A 27 -6.886 -2.430 -3.416 1.00 51.15 H new ATOM 0 HD13 LEU A 27 -7.220 -3.335 -1.921 1.00 51.15 H new ATOM 0 HD21 LEU A 27 -5.511 -1.453 -0.078 1.00 74.55 H new ATOM 0 HD22 LEU A 27 -5.407 -3.227 0.021 1.00 74.55 H new ATOM 0 HD23 LEU A 27 -3.941 -2.266 -0.282 1.00 74.55 H new ATOM 428 N VAL A 28 -3.096 -2.338 -5.028 1.00 13.44 N ATOM 429 CA VAL A 28 -2.579 -1.236 -5.858 1.00 54.55 C ATOM 430 C VAL A 28 -2.939 -1.472 -7.350 1.00 31.21 C ATOM 431 O VAL A 28 -3.202 -0.530 -8.114 1.00 2.25 O ATOM 432 CB VAL A 28 -1.018 -1.125 -5.683 1.00 43.14 C ATOM 433 CG1 VAL A 28 -0.428 0.010 -6.520 1.00 63.21 C ATOM 434 CG2 VAL A 28 -0.632 -0.952 -4.203 1.00 65.22 C ATOM 0 H VAL A 28 -2.365 -2.861 -4.545 1.00 13.44 H new ATOM 0 HA VAL A 28 -3.039 -0.302 -5.536 1.00 54.55 H new ATOM 0 HB VAL A 28 -0.594 -2.062 -6.045 1.00 43.14 H new ATOM 0 HG11 VAL A 28 0.651 0.051 -6.369 1.00 63.21 H new ATOM 0 HG12 VAL A 28 -0.641 -0.167 -7.574 1.00 63.21 H new ATOM 0 HG13 VAL A 28 -0.873 0.957 -6.214 1.00 63.21 H new ATOM 0 HG21 VAL A 28 0.452 -0.878 -4.116 1.00 65.22 H new ATOM 0 HG22 VAL A 28 -1.090 -0.044 -3.811 1.00 65.22 H new ATOM 0 HG23 VAL A 28 -0.984 -1.811 -3.632 1.00 65.22 H new ATOM 444 N SER A 29 -2.976 -2.764 -7.720 1.00 41.43 N ATOM 445 CA SER A 29 -3.281 -3.229 -9.084 1.00 73.22 C ATOM 446 C SER A 29 -4.803 -3.437 -9.301 1.00 70.32 C ATOM 447 O SER A 29 -5.216 -3.847 -10.384 1.00 64.32 O ATOM 448 CB SER A 29 -2.494 -4.546 -9.344 1.00 2.01 C ATOM 449 OG SER A 29 -2.696 -5.047 -10.658 1.00 12.41 O ATOM 0 H SER A 29 -2.792 -3.527 -7.069 1.00 41.43 H new ATOM 0 HA SER A 29 -2.972 -2.464 -9.796 1.00 73.22 H new ATOM 0 HB2 SER A 29 -1.430 -4.368 -9.186 1.00 2.01 H new ATOM 0 HB3 SER A 29 -2.802 -5.300 -8.619 1.00 2.01 H new ATOM 0 HG SER A 29 -3.575 -4.762 -10.985 1.00 12.41 H new ATOM 455 N ASP A 30 -5.632 -3.180 -8.276 1.00 14.41 N ATOM 456 CA ASP A 30 -7.098 -3.356 -8.368 1.00 42.31 C ATOM 457 C ASP A 30 -7.772 -2.141 -9.048 1.00 55.03 C ATOM 458 O ASP A 30 -7.639 -1.013 -8.562 1.00 3.44 O ATOM 459 CB ASP A 30 -7.689 -3.596 -6.954 1.00 51.21 C ATOM 460 CG ASP A 30 -9.216 -3.850 -6.915 1.00 1.14 C ATOM 461 OD1 ASP A 30 -9.783 -4.400 -7.884 1.00 71.53 O ATOM 462 OD2 ASP A 30 -9.845 -3.579 -5.872 1.00 15.32 O ATOM 0 H ASP A 30 -5.313 -2.847 -7.366 1.00 14.41 H new ATOM 0 HA ASP A 30 -7.301 -4.228 -8.989 1.00 42.31 H new ATOM 0 HB2 ASP A 30 -7.183 -4.451 -6.506 1.00 51.21 H new ATOM 0 HB3 ASP A 30 -7.464 -2.730 -6.331 1.00 51.21 H new ATOM 467 N PRO A 31 -8.533 -2.362 -10.178 1.00 40.12 N ATOM 468 CA PRO A 31 -9.310 -1.289 -10.860 1.00 22.32 C ATOM 469 C PRO A 31 -10.590 -0.856 -10.092 1.00 15.52 C ATOM 470 O PRO A 31 -11.278 0.064 -10.528 1.00 44.53 O ATOM 471 CB PRO A 31 -9.671 -1.937 -12.221 1.00 34.40 C ATOM 472 CG PRO A 31 -9.755 -3.400 -11.920 1.00 40.03 C ATOM 473 CD PRO A 31 -8.657 -3.662 -10.910 1.00 64.41 C ATOM 0 HA PRO A 31 -8.736 -0.366 -10.939 1.00 22.32 H new ATOM 0 HB2 PRO A 31 -10.616 -1.555 -12.606 1.00 34.40 H new ATOM 0 HB3 PRO A 31 -8.912 -1.728 -12.975 1.00 34.40 H new ATOM 0 HG2 PRO A 31 -10.733 -3.663 -11.516 1.00 40.03 H new ATOM 0 HG3 PRO A 31 -9.611 -3.996 -12.821 1.00 40.03 H new ATOM 0 HD2 PRO A 31 -8.919 -4.478 -10.236 1.00 64.41 H new ATOM 0 HD3 PRO A 31 -7.722 -3.938 -11.397 1.00 64.41 H new ATOM 481 N ASP A 32 -10.932 -1.556 -8.994 1.00 41.33 N ATOM 482 CA ASP A 32 -12.055 -1.164 -8.107 1.00 65.43 C ATOM 483 C ASP A 32 -11.591 -0.152 -7.045 1.00 63.11 C ATOM 484 O ASP A 32 -12.306 0.803 -6.731 1.00 41.34 O ATOM 485 CB ASP A 32 -12.668 -2.419 -7.434 1.00 11.25 C ATOM 486 CG ASP A 32 -13.818 -2.112 -6.449 1.00 0.12 C ATOM 487 OD1 ASP A 32 -14.973 -1.949 -6.897 1.00 72.51 O ATOM 488 OD2 ASP A 32 -13.582 -2.070 -5.222 1.00 53.41 O ATOM 0 H ASP A 32 -10.446 -2.402 -8.695 1.00 41.33 H new ATOM 0 HA ASP A 32 -12.821 -0.683 -8.715 1.00 65.43 H new ATOM 0 HB2 ASP A 32 -13.038 -3.089 -8.210 1.00 11.25 H new ATOM 0 HB3 ASP A 32 -11.881 -2.953 -6.901 1.00 11.25 H new ATOM 493 N THR A 33 -10.362 -0.342 -6.536 1.00 63.41 N ATOM 494 CA THR A 33 -9.813 0.485 -5.443 1.00 11.41 C ATOM 495 C THR A 33 -8.785 1.489 -5.982 1.00 70.41 C ATOM 496 O THR A 33 -8.153 2.191 -5.203 1.00 24.32 O ATOM 497 CB THR A 33 -9.157 -0.389 -4.329 1.00 23.24 C ATOM 498 OG1 THR A 33 -8.179 -1.251 -4.909 1.00 12.53 O ATOM 499 CG2 THR A 33 -10.191 -1.237 -3.564 1.00 11.51 C ATOM 0 H THR A 33 -9.724 -1.066 -6.866 1.00 63.41 H new ATOM 0 HA THR A 33 -10.650 1.028 -5.003 1.00 11.41 H new ATOM 0 HB THR A 33 -8.692 0.291 -3.615 1.00 23.24 H new ATOM 0 HG1 THR A 33 -7.309 -0.800 -4.916 1.00 12.53 H new ATOM 0 HG21 THR A 33 -9.684 -1.827 -2.800 1.00 11.51 H new ATOM 0 HG22 THR A 33 -10.921 -0.581 -3.091 1.00 11.51 H new ATOM 0 HG23 THR A 33 -10.700 -1.904 -4.259 1.00 11.51 H new ATOM 507 N ASP A 34 -8.686 1.584 -7.319 1.00 11.42 N ATOM 508 CA ASP A 34 -7.690 2.416 -8.027 1.00 52.13 C ATOM 509 C ASP A 34 -7.818 3.903 -7.657 1.00 14.52 C ATOM 510 O ASP A 34 -6.831 4.629 -7.637 1.00 61.45 O ATOM 511 CB ASP A 34 -7.849 2.233 -9.563 1.00 13.54 C ATOM 512 CG ASP A 34 -9.101 2.920 -10.152 1.00 24.42 C ATOM 513 OD1 ASP A 34 -10.226 2.637 -9.687 1.00 20.32 O ATOM 514 OD2 ASP A 34 -8.972 3.743 -11.078 1.00 53.03 O ATOM 0 H ASP A 34 -9.305 1.077 -7.952 1.00 11.42 H new ATOM 0 HA ASP A 34 -6.699 2.085 -7.717 1.00 52.13 H new ATOM 0 HB2 ASP A 34 -6.963 2.629 -10.059 1.00 13.54 H new ATOM 0 HB3 ASP A 34 -7.892 1.168 -9.789 1.00 13.54 H new ATOM 519 N ALA A 35 -9.062 4.326 -7.379 1.00 41.31 N ATOM 520 CA ALA A 35 -9.382 5.699 -6.977 1.00 24.22 C ATOM 521 C ALA A 35 -8.806 6.042 -5.593 1.00 73.10 C ATOM 522 O ALA A 35 -8.430 7.181 -5.346 1.00 72.23 O ATOM 523 CB ALA A 35 -10.901 5.906 -6.995 1.00 30.13 C ATOM 0 H ALA A 35 -9.879 3.717 -7.428 1.00 41.31 H new ATOM 0 HA ALA A 35 -8.917 6.375 -7.695 1.00 24.22 H new ATOM 0 HB1 ALA A 35 -11.132 6.928 -6.695 1.00 30.13 H new ATOM 0 HB2 ALA A 35 -11.281 5.728 -8.001 1.00 30.13 H new ATOM 0 HB3 ALA A 35 -11.371 5.209 -6.301 1.00 30.13 H new ATOM 529 N LEU A 36 -8.724 5.046 -4.696 1.00 41.11 N ATOM 530 CA LEU A 36 -8.242 5.260 -3.314 1.00 32.13 C ATOM 531 C LEU A 36 -6.794 4.765 -3.146 1.00 73.40 C ATOM 532 O LEU A 36 -6.174 5.040 -2.123 1.00 32.42 O ATOM 533 CB LEU A 36 -9.183 4.569 -2.284 1.00 51.23 C ATOM 534 CG LEU A 36 -10.662 5.073 -2.256 1.00 53.31 C ATOM 535 CD1 LEU A 36 -11.458 4.401 -1.116 1.00 73.43 C ATOM 536 CD2 LEU A 36 -10.737 6.611 -2.145 1.00 53.54 C ATOM 0 H LEU A 36 -8.985 4.081 -4.900 1.00 41.11 H new ATOM 0 HA LEU A 36 -8.254 6.333 -3.121 1.00 32.13 H new ATOM 0 HB2 LEU A 36 -9.189 3.499 -2.490 1.00 51.23 H new ATOM 0 HB3 LEU A 36 -8.757 4.700 -1.289 1.00 51.23 H new ATOM 0 HG LEU A 36 -11.119 4.788 -3.203 1.00 53.31 H new ATOM 0 HD11 LEU A 36 -12.483 4.771 -1.121 1.00 73.43 H new ATOM 0 HD12 LEU A 36 -11.461 3.321 -1.262 1.00 73.43 H new ATOM 0 HD13 LEU A 36 -10.992 4.636 -0.159 1.00 73.43 H new ATOM 0 HD21 LEU A 36 -11.781 6.924 -2.128 1.00 53.54 H new ATOM 0 HD22 LEU A 36 -10.247 6.934 -1.227 1.00 53.54 H new ATOM 0 HD23 LEU A 36 -10.236 7.062 -3.002 1.00 53.54 H new ATOM 548 N ILE A 37 -6.281 4.013 -4.134 1.00 60.20 N ATOM 549 CA ILE A 37 -4.890 3.545 -4.144 1.00 32.54 C ATOM 550 C ILE A 37 -4.461 3.160 -5.575 1.00 35.15 C ATOM 551 O ILE A 37 -5.092 2.315 -6.223 1.00 1.23 O ATOM 552 CB ILE A 37 -4.680 2.345 -3.142 1.00 44.44 C ATOM 553 CG1 ILE A 37 -3.184 1.910 -3.063 1.00 13.53 C ATOM 554 CG2 ILE A 37 -5.611 1.144 -3.462 1.00 24.42 C ATOM 555 CD1 ILE A 37 -2.892 0.885 -1.970 1.00 43.31 C ATOM 0 H ILE A 37 -6.821 3.714 -4.946 1.00 60.20 H new ATOM 0 HA ILE A 37 -4.255 4.364 -3.806 1.00 32.54 H new ATOM 0 HB ILE A 37 -4.963 2.709 -2.154 1.00 44.44 H new ATOM 0 HG12 ILE A 37 -2.886 1.494 -4.026 1.00 13.53 H new ATOM 0 HG13 ILE A 37 -2.568 2.793 -2.893 1.00 13.53 H new ATOM 0 HG21 ILE A 37 -5.430 0.343 -2.746 1.00 24.42 H new ATOM 0 HG22 ILE A 37 -6.651 1.462 -3.395 1.00 24.42 H new ATOM 0 HG23 ILE A 37 -5.406 0.783 -4.470 1.00 24.42 H new ATOM 0 HD11 ILE A 37 -1.831 0.634 -1.980 1.00 43.31 H new ATOM 0 HD12 ILE A 37 -3.157 1.303 -0.999 1.00 43.31 H new ATOM 0 HD13 ILE A 37 -3.479 -0.016 -2.149 1.00 43.31 H new ATOM 567 N CYS A 38 -3.386 3.794 -6.071 1.00 11.00 N ATOM 568 CA CYS A 38 -2.878 3.549 -7.431 1.00 51.52 C ATOM 569 C CYS A 38 -1.347 3.574 -7.446 1.00 14.34 C ATOM 570 O CYS A 38 -0.730 4.293 -6.661 1.00 54.15 O ATOM 571 CB CYS A 38 -3.433 4.618 -8.395 1.00 63.43 C ATOM 572 SG CYS A 38 -2.953 6.318 -7.972 1.00 44.04 S ATOM 0 H CYS A 38 -2.849 4.484 -5.546 1.00 11.00 H new ATOM 0 HA CYS A 38 -3.210 2.563 -7.756 1.00 51.52 H new ATOM 0 HB2 CYS A 38 -3.089 4.395 -9.405 1.00 63.43 H new ATOM 0 HB3 CYS A 38 -4.521 4.551 -8.407 1.00 63.43 H new ATOM 0 HG CYS A 38 -3.464 7.142 -8.838 1.00 44.04 H new ATOM 578 N TRP A 39 -0.749 2.794 -8.359 1.00 41.31 N ATOM 579 CA TRP A 39 0.717 2.735 -8.552 1.00 73.52 C ATOM 580 C TRP A 39 1.236 4.005 -9.224 1.00 5.54 C ATOM 581 O TRP A 39 0.490 4.691 -9.935 1.00 40.21 O ATOM 582 CB TRP A 39 1.126 1.471 -9.386 1.00 63.43 C ATOM 583 CG TRP A 39 0.217 1.167 -10.564 1.00 1.22 C ATOM 584 CD1 TRP A 39 -0.830 0.283 -10.576 1.00 44.51 C ATOM 585 CD2 TRP A 39 0.248 1.761 -11.877 1.00 10.42 C ATOM 586 NE1 TRP A 39 -1.441 0.297 -11.798 1.00 72.54 N ATOM 587 CE2 TRP A 39 -0.799 1.191 -12.613 1.00 31.22 C ATOM 588 CE3 TRP A 39 1.062 2.716 -12.496 1.00 50.54 C ATOM 589 CZ2 TRP A 39 -1.061 1.544 -13.932 1.00 22.00 C ATOM 590 CZ3 TRP A 39 0.805 3.068 -13.805 1.00 62.30 C ATOM 591 CH2 TRP A 39 -0.249 2.482 -14.513 1.00 34.34 C ATOM 0 H TRP A 39 -1.267 2.182 -8.990 1.00 41.31 H new ATOM 0 HA TRP A 39 1.175 2.658 -7.566 1.00 73.52 H new ATOM 0 HB2 TRP A 39 2.142 1.609 -9.755 1.00 63.43 H new ATOM 0 HB3 TRP A 39 1.142 0.605 -8.724 1.00 63.43 H new ATOM 0 HD1 TRP A 39 -1.129 -0.334 -9.742 1.00 44.51 H new ATOM 0 HE1 TRP A 39 -2.248 -0.269 -12.062 1.00 72.54 H new ATOM 0 HE3 TRP A 39 1.880 3.171 -11.957 1.00 50.54 H new ATOM 0 HZ2 TRP A 39 -1.876 1.094 -14.479 1.00 22.00 H new ATOM 0 HZ3 TRP A 39 1.426 3.806 -14.290 1.00 62.30 H new ATOM 0 HH2 TRP A 39 -0.426 2.775 -15.537 1.00 34.34 H new ATOM 602 N SER A 40 2.511 4.313 -8.978 1.00 22.12 N ATOM 603 CA SER A 40 3.232 5.355 -9.702 1.00 60.04 C ATOM 604 C SER A 40 3.728 4.784 -11.051 1.00 31.11 C ATOM 605 O SER A 40 4.119 3.617 -11.105 1.00 61.05 O ATOM 606 CB SER A 40 4.422 5.845 -8.845 1.00 42.41 C ATOM 607 OG SER A 40 3.983 6.298 -7.575 1.00 23.44 O ATOM 0 H SER A 40 3.072 3.843 -8.268 1.00 22.12 H new ATOM 0 HA SER A 40 2.574 6.201 -9.899 1.00 60.04 H new ATOM 0 HB2 SER A 40 5.140 5.035 -8.718 1.00 42.41 H new ATOM 0 HB3 SER A 40 4.940 6.652 -9.363 1.00 42.41 H new ATOM 0 HG SER A 40 3.624 7.206 -7.658 1.00 23.44 H new ATOM 613 N PRO A 41 3.682 5.576 -12.166 1.00 12.53 N ATOM 614 CA PRO A 41 4.196 5.147 -13.499 1.00 55.12 C ATOM 615 C PRO A 41 5.640 4.568 -13.493 1.00 32.05 C ATOM 616 O PRO A 41 5.997 3.813 -14.395 1.00 72.41 O ATOM 617 CB PRO A 41 4.117 6.443 -14.331 1.00 64.22 C ATOM 618 CG PRO A 41 2.969 7.197 -13.724 1.00 73.02 C ATOM 619 CD PRO A 41 3.055 6.929 -12.237 1.00 3.33 C ATOM 0 HA PRO A 41 3.611 4.316 -13.893 1.00 55.12 H new ATOM 0 HB2 PRO A 41 5.044 7.013 -14.271 1.00 64.22 H new ATOM 0 HB3 PRO A 41 3.941 6.230 -15.385 1.00 64.22 H new ATOM 0 HG2 PRO A 41 3.043 8.264 -13.936 1.00 73.02 H new ATOM 0 HG3 PRO A 41 2.017 6.857 -14.130 1.00 73.02 H new ATOM 0 HD2 PRO A 41 3.660 7.679 -11.728 1.00 3.33 H new ATOM 0 HD3 PRO A 41 2.071 6.941 -11.769 1.00 3.33 H new ATOM 627 N SER A 42 6.448 4.921 -12.474 1.00 4.12 N ATOM 628 CA SER A 42 7.810 4.374 -12.300 1.00 71.15 C ATOM 629 C SER A 42 7.777 2.888 -11.877 1.00 12.22 C ATOM 630 O SER A 42 8.686 2.123 -12.204 1.00 32.05 O ATOM 631 CB SER A 42 8.587 5.218 -11.267 1.00 61.24 C ATOM 632 OG SER A 42 8.724 6.564 -11.700 1.00 13.25 O ATOM 0 H SER A 42 6.178 5.589 -11.752 1.00 4.12 H new ATOM 0 HA SER A 42 8.322 4.426 -13.261 1.00 71.15 H new ATOM 0 HB2 SER A 42 8.068 5.193 -10.309 1.00 61.24 H new ATOM 0 HB3 SER A 42 9.573 4.783 -11.107 1.00 61.24 H new ATOM 0 HG SER A 42 9.218 7.076 -11.026 1.00 13.25 H new ATOM 638 N GLY A 43 6.718 2.500 -11.150 1.00 34.33 N ATOM 639 CA GLY A 43 6.516 1.122 -10.720 1.00 0.11 C ATOM 640 C GLY A 43 7.466 0.716 -9.608 1.00 11.10 C ATOM 641 O GLY A 43 8.312 -0.160 -9.798 1.00 50.15 O ATOM 0 H GLY A 43 5.982 3.138 -10.848 1.00 34.33 H new ATOM 0 HA2 GLY A 43 5.488 0.998 -10.379 1.00 0.11 H new ATOM 0 HA3 GLY A 43 6.652 0.455 -11.571 1.00 0.11 H new ATOM 645 N ASN A 44 7.296 1.353 -8.447 1.00 54.24 N ATOM 646 CA ASN A 44 8.226 1.246 -7.301 1.00 31.34 C ATOM 647 C ASN A 44 7.626 1.859 -6.020 1.00 30.42 C ATOM 648 O ASN A 44 8.116 1.607 -4.905 1.00 31.53 O ATOM 649 CB ASN A 44 9.610 1.891 -7.614 1.00 30.13 C ATOM 650 CG ASN A 44 9.543 3.319 -8.164 1.00 14.12 C ATOM 651 OD1 ASN A 44 8.556 4.040 -8.002 1.00 44.41 O ATOM 652 ND2 ASN A 44 10.614 3.741 -8.815 1.00 34.21 N ATOM 0 H ASN A 44 6.502 1.967 -8.266 1.00 54.24 H new ATOM 0 HA ASN A 44 8.382 0.181 -7.127 1.00 31.34 H new ATOM 0 HB2 ASN A 44 10.208 1.895 -6.702 1.00 30.13 H new ATOM 0 HB3 ASN A 44 10.133 1.263 -8.335 1.00 30.13 H new ATOM 0 HD21 ASN A 44 10.638 4.686 -9.199 1.00 34.21 H new ATOM 0 HD22 ASN A 44 11.416 3.122 -8.933 1.00 34.21 H new ATOM 659 N SER A 45 6.579 2.679 -6.191 1.00 34.42 N ATOM 660 CA SER A 45 5.882 3.347 -5.099 1.00 12.32 C ATOM 661 C SER A 45 4.380 3.356 -5.407 1.00 14.33 C ATOM 662 O SER A 45 3.977 3.150 -6.565 1.00 71.43 O ATOM 663 CB SER A 45 6.430 4.783 -4.947 1.00 45.44 C ATOM 664 OG SER A 45 6.400 5.496 -6.176 1.00 44.45 O ATOM 0 H SER A 45 6.192 2.896 -7.109 1.00 34.42 H new ATOM 0 HA SER A 45 6.044 2.820 -4.159 1.00 12.32 H new ATOM 0 HB2 SER A 45 5.842 5.319 -4.202 1.00 45.44 H new ATOM 0 HB3 SER A 45 7.454 4.743 -4.576 1.00 45.44 H new ATOM 0 HG SER A 45 5.471 5.702 -6.412 1.00 44.45 H new ATOM 670 N PHE A 46 3.542 3.589 -4.383 1.00 73.25 N ATOM 671 CA PHE A 46 2.081 3.653 -4.563 1.00 64.13 C ATOM 672 C PHE A 46 1.484 4.773 -3.710 1.00 50.13 C ATOM 673 O PHE A 46 1.955 5.036 -2.602 1.00 31.21 O ATOM 674 CB PHE A 46 1.419 2.287 -4.232 1.00 55.51 C ATOM 675 CG PHE A 46 1.617 1.786 -2.796 1.00 31.43 C ATOM 676 CD1 PHE A 46 2.782 1.111 -2.426 1.00 20.24 C ATOM 677 CD2 PHE A 46 0.635 1.982 -1.821 1.00 4.23 C ATOM 678 CE1 PHE A 46 2.957 0.654 -1.135 1.00 22.45 C ATOM 679 CE2 PHE A 46 0.813 1.523 -0.530 1.00 21.21 C ATOM 680 CZ PHE A 46 1.974 0.859 -0.189 1.00 75.31 C ATOM 0 H PHE A 46 3.851 3.736 -3.422 1.00 73.25 H new ATOM 0 HA PHE A 46 1.876 3.876 -5.610 1.00 64.13 H new ATOM 0 HB2 PHE A 46 0.349 2.365 -4.426 1.00 55.51 H new ATOM 0 HB3 PHE A 46 1.813 1.537 -4.917 1.00 55.51 H new ATOM 0 HD1 PHE A 46 3.557 0.944 -3.160 1.00 20.24 H new ATOM 0 HD2 PHE A 46 -0.276 2.500 -2.081 1.00 4.23 H new ATOM 0 HE1 PHE A 46 3.865 0.135 -0.865 1.00 22.45 H new ATOM 0 HE2 PHE A 46 0.044 1.684 0.212 1.00 21.21 H new ATOM 0 HZ PHE A 46 2.113 0.499 0.820 1.00 75.31 H new ATOM 690 N HIS A 47 0.424 5.395 -4.234 1.00 42.30 N ATOM 691 CA HIS A 47 -0.242 6.544 -3.621 1.00 23.21 C ATOM 692 C HIS A 47 -1.545 6.088 -2.961 1.00 15.14 C ATOM 693 O HIS A 47 -2.249 5.242 -3.511 1.00 43.21 O ATOM 694 CB HIS A 47 -0.547 7.607 -4.699 1.00 62.24 C ATOM 695 CG HIS A 47 0.676 8.197 -5.359 1.00 31.14 C ATOM 696 ND1 HIS A 47 1.184 9.437 -5.036 1.00 55.13 N ATOM 697 CD2 HIS A 47 1.481 7.713 -6.336 1.00 0.52 C ATOM 698 CE1 HIS A 47 2.239 9.690 -5.778 1.00 41.50 C ATOM 699 NE2 HIS A 47 2.444 8.660 -6.574 1.00 63.14 N ATOM 0 H HIS A 47 -0.003 5.107 -5.114 1.00 42.30 H new ATOM 0 HA HIS A 47 0.412 6.979 -2.866 1.00 23.21 H new ATOM 0 HB2 HIS A 47 -1.178 7.158 -5.466 1.00 62.24 H new ATOM 0 HB3 HIS A 47 -1.123 8.413 -4.244 1.00 62.24 H new ATOM 0 HD1 HIS A 47 0.800 10.063 -4.329 1.00 55.13 H new ATOM 0 HD2 HIS A 47 1.383 6.760 -6.834 1.00 0.52 H new ATOM 0 HE1 HIS A 47 2.836 10.589 -5.742 1.00 41.50 H new ATOM 708 N VAL A 48 -1.861 6.658 -1.789 1.00 75.44 N ATOM 709 CA VAL A 48 -3.077 6.330 -1.021 1.00 72.41 C ATOM 710 C VAL A 48 -3.882 7.621 -0.782 1.00 5.52 C ATOM 711 O VAL A 48 -3.314 8.638 -0.377 1.00 74.41 O ATOM 712 CB VAL A 48 -2.721 5.644 0.355 1.00 51.34 C ATOM 713 CG1 VAL A 48 -3.992 5.253 1.131 1.00 21.44 C ATOM 714 CG2 VAL A 48 -1.806 4.416 0.148 1.00 1.51 C ATOM 0 H VAL A 48 -1.277 7.365 -1.342 1.00 75.44 H new ATOM 0 HA VAL A 48 -3.674 5.621 -1.595 1.00 72.41 H new ATOM 0 HB VAL A 48 -2.175 6.374 0.952 1.00 51.34 H new ATOM 0 HG11 VAL A 48 -3.712 4.783 2.074 1.00 21.44 H new ATOM 0 HG12 VAL A 48 -4.585 6.145 1.332 1.00 21.44 H new ATOM 0 HG13 VAL A 48 -4.580 4.553 0.537 1.00 21.44 H new ATOM 0 HG21 VAL A 48 -1.578 3.965 1.114 1.00 1.51 H new ATOM 0 HG22 VAL A 48 -2.314 3.686 -0.483 1.00 1.51 H new ATOM 0 HG23 VAL A 48 -0.880 4.729 -0.333 1.00 1.51 H new ATOM 724 N PHE A 49 -5.201 7.551 -1.035 1.00 70.23 N ATOM 725 CA PHE A 49 -6.126 8.702 -0.985 1.00 54.21 C ATOM 726 C PHE A 49 -7.265 8.433 0.006 1.00 63.41 C ATOM 727 O PHE A 49 -7.663 7.269 0.201 1.00 2.44 O ATOM 728 CB PHE A 49 -6.739 8.965 -2.389 1.00 32.55 C ATOM 729 CG PHE A 49 -5.729 9.367 -3.459 1.00 24.12 C ATOM 730 CD1 PHE A 49 -5.031 8.397 -4.188 1.00 43.34 C ATOM 731 CD2 PHE A 49 -5.469 10.709 -3.730 1.00 51.14 C ATOM 732 CE1 PHE A 49 -4.114 8.764 -5.154 1.00 73.21 C ATOM 733 CE2 PHE A 49 -4.556 11.071 -4.699 1.00 30.35 C ATOM 734 CZ PHE A 49 -3.875 10.098 -5.405 1.00 43.40 C ATOM 0 H PHE A 49 -5.665 6.677 -1.285 1.00 70.23 H new ATOM 0 HA PHE A 49 -5.558 9.574 -0.662 1.00 54.21 H new ATOM 0 HB2 PHE A 49 -7.258 8.065 -2.718 1.00 32.55 H new ATOM 0 HB3 PHE A 49 -7.488 9.752 -2.302 1.00 32.55 H new ATOM 0 HD1 PHE A 49 -5.211 7.350 -3.993 1.00 43.34 H new ATOM 0 HD2 PHE A 49 -5.989 11.475 -3.174 1.00 51.14 H new ATOM 0 HE1 PHE A 49 -3.585 8.006 -5.712 1.00 73.21 H new ATOM 0 HE2 PHE A 49 -4.374 12.115 -4.906 1.00 30.35 H new ATOM 0 HZ PHE A 49 -3.153 10.384 -6.156 1.00 43.40 H new ATOM 744 N ASP A 50 -7.802 9.534 0.579 1.00 10.43 N ATOM 745 CA ASP A 50 -8.982 9.509 1.476 1.00 4.11 C ATOM 746 C ASP A 50 -8.768 8.520 2.629 1.00 3.04 C ATOM 747 O ASP A 50 -9.520 7.569 2.773 1.00 53.12 O ATOM 748 CB ASP A 50 -10.294 9.178 0.703 1.00 64.42 C ATOM 749 CG ASP A 50 -10.630 10.199 -0.383 1.00 13.15 C ATOM 750 OD1 ASP A 50 -10.110 10.062 -1.505 1.00 43.25 O ATOM 751 OD2 ASP A 50 -11.426 11.132 -0.129 1.00 35.25 O ATOM 0 H ASP A 50 -7.427 10.471 0.432 1.00 10.43 H new ATOM 0 HA ASP A 50 -9.093 10.510 1.892 1.00 4.11 H new ATOM 0 HB2 ASP A 50 -10.201 8.192 0.248 1.00 64.42 H new ATOM 0 HB3 ASP A 50 -11.121 9.125 1.411 1.00 64.42 H new ATOM 756 N GLN A 51 -7.731 8.785 3.429 1.00 13.11 N ATOM 757 CA GLN A 51 -7.215 7.877 4.482 1.00 32.42 C ATOM 758 C GLN A 51 -8.316 7.254 5.380 1.00 53.21 C ATOM 759 O GLN A 51 -8.233 6.075 5.744 1.00 43.24 O ATOM 760 CB GLN A 51 -6.171 8.634 5.343 1.00 2.15 C ATOM 761 CG GLN A 51 -4.976 9.218 4.544 1.00 52.25 C ATOM 762 CD GLN A 51 -4.043 8.158 3.934 1.00 54.13 C ATOM 763 OE1 GLN A 51 -4.446 7.057 3.598 1.00 3.42 O ATOM 764 NE2 GLN A 51 -2.781 8.495 3.779 1.00 51.32 N ATOM 0 H GLN A 51 -7.207 9.658 3.368 1.00 13.11 H new ATOM 0 HA GLN A 51 -6.751 7.034 3.970 1.00 32.42 H new ATOM 0 HB2 GLN A 51 -6.673 9.447 5.867 1.00 2.15 H new ATOM 0 HB3 GLN A 51 -5.785 7.955 6.103 1.00 2.15 H new ATOM 0 HG2 GLN A 51 -5.363 9.848 3.743 1.00 52.25 H new ATOM 0 HG3 GLN A 51 -4.393 9.862 5.203 1.00 52.25 H new ATOM 0 HE21 GLN A 51 -2.461 9.420 4.066 1.00 51.32 H new ATOM 0 HE22 GLN A 51 -2.122 7.831 3.372 1.00 51.32 H new ATOM 773 N GLY A 52 -9.350 8.053 5.684 1.00 42.13 N ATOM 774 CA GLY A 52 -10.475 7.603 6.500 1.00 14.33 C ATOM 775 C GLY A 52 -11.379 6.613 5.769 1.00 41.34 C ATOM 776 O GLY A 52 -11.754 5.582 6.334 1.00 44.23 O ATOM 0 H GLY A 52 -9.425 9.021 5.371 1.00 42.13 H new ATOM 0 HA2 GLY A 52 -10.095 7.137 7.409 1.00 14.33 H new ATOM 0 HA3 GLY A 52 -11.064 8.467 6.807 1.00 14.33 H new ATOM 780 N GLN A 53 -11.706 6.922 4.496 1.00 44.51 N ATOM 781 CA GLN A 53 -12.611 6.094 3.671 1.00 53.24 C ATOM 782 C GLN A 53 -11.899 4.793 3.245 1.00 34.32 C ATOM 783 O GLN A 53 -12.484 3.708 3.286 1.00 51.32 O ATOM 784 CB GLN A 53 -13.078 6.898 2.431 1.00 1.13 C ATOM 785 CG GLN A 53 -14.132 6.189 1.548 1.00 15.31 C ATOM 786 CD GLN A 53 -15.450 5.878 2.272 1.00 73.43 C ATOM 787 OE1 GLN A 53 -15.879 6.603 3.170 1.00 23.10 O ATOM 788 NE2 GLN A 53 -16.102 4.794 1.892 1.00 10.33 N ATOM 0 H GLN A 53 -11.352 7.748 4.013 1.00 44.51 H new ATOM 0 HA GLN A 53 -13.488 5.826 4.260 1.00 53.24 H new ATOM 0 HB2 GLN A 53 -13.490 7.849 2.768 1.00 1.13 H new ATOM 0 HB3 GLN A 53 -12.207 7.127 1.817 1.00 1.13 H new ATOM 0 HG2 GLN A 53 -14.345 6.815 0.682 1.00 15.31 H new ATOM 0 HG3 GLN A 53 -13.708 5.258 1.172 1.00 15.31 H new ATOM 0 HE21 GLN A 53 -15.727 4.209 1.146 1.00 10.33 H new ATOM 0 HE22 GLN A 53 -16.981 4.542 2.345 1.00 10.33 H new ATOM 797 N PHE A 54 -10.627 4.943 2.844 1.00 13.22 N ATOM 798 CA PHE A 54 -9.721 3.847 2.474 1.00 1.41 C ATOM 799 C PHE A 54 -9.613 2.822 3.606 1.00 21.44 C ATOM 800 O PHE A 54 -9.804 1.627 3.392 1.00 53.25 O ATOM 801 CB PHE A 54 -8.320 4.448 2.138 1.00 42.23 C ATOM 802 CG PHE A 54 -7.218 3.436 1.808 1.00 61.34 C ATOM 803 CD1 PHE A 54 -7.010 3.001 0.503 1.00 41.23 C ATOM 804 CD2 PHE A 54 -6.392 2.912 2.814 1.00 52.13 C ATOM 805 CE1 PHE A 54 -6.007 2.097 0.211 1.00 12.22 C ATOM 806 CE2 PHE A 54 -5.391 2.006 2.515 1.00 12.24 C ATOM 807 CZ PHE A 54 -5.206 1.588 1.215 1.00 64.24 C ATOM 0 H PHE A 54 -10.188 5.860 2.766 1.00 13.22 H new ATOM 0 HA PHE A 54 -10.116 3.328 1.601 1.00 1.41 H new ATOM 0 HB2 PHE A 54 -8.430 5.125 1.291 1.00 42.23 H new ATOM 0 HB3 PHE A 54 -7.992 5.050 2.986 1.00 42.23 H new ATOM 0 HD1 PHE A 54 -7.640 3.374 -0.291 1.00 41.23 H new ATOM 0 HD2 PHE A 54 -6.540 3.221 3.838 1.00 52.13 H new ATOM 0 HE1 PHE A 54 -5.848 1.786 -0.811 1.00 12.22 H new ATOM 0 HE2 PHE A 54 -4.754 1.626 3.300 1.00 12.24 H new ATOM 0 HZ PHE A 54 -4.438 0.865 0.982 1.00 64.24 H new ATOM 817 N ALA A 55 -9.298 3.303 4.812 1.00 35.12 N ATOM 818 CA ALA A 55 -9.165 2.439 5.988 1.00 52.24 C ATOM 819 C ALA A 55 -10.490 1.713 6.316 1.00 23.11 C ATOM 820 O ALA A 55 -10.485 0.567 6.754 1.00 3.05 O ATOM 821 CB ALA A 55 -8.670 3.253 7.185 1.00 12.10 C ATOM 0 H ALA A 55 -9.130 4.291 5.000 1.00 35.12 H new ATOM 0 HA ALA A 55 -8.428 1.669 5.761 1.00 52.24 H new ATOM 0 HB1 ALA A 55 -8.575 2.601 8.054 1.00 12.10 H new ATOM 0 HB2 ALA A 55 -7.699 3.690 6.951 1.00 12.10 H new ATOM 0 HB3 ALA A 55 -9.383 4.048 7.404 1.00 12.10 H new ATOM 827 N LYS A 56 -11.609 2.391 6.012 1.00 4.15 N ATOM 828 CA LYS A 56 -12.973 1.911 6.297 1.00 33.04 C ATOM 829 C LYS A 56 -13.377 0.719 5.402 1.00 73.01 C ATOM 830 O LYS A 56 -13.867 -0.288 5.916 1.00 33.30 O ATOM 831 CB LYS A 56 -13.965 3.119 6.164 1.00 13.15 C ATOM 832 CG LYS A 56 -15.485 2.775 6.086 1.00 61.04 C ATOM 833 CD LYS A 56 -16.017 2.752 4.631 1.00 2.14 C ATOM 834 CE LYS A 56 -17.491 2.324 4.540 1.00 72.34 C ATOM 835 NZ LYS A 56 -18.404 3.270 5.244 1.00 74.02 N ATOM 0 H LYS A 56 -11.592 3.302 5.554 1.00 4.15 H new ATOM 0 HA LYS A 56 -13.010 1.526 7.316 1.00 33.04 H new ATOM 0 HB2 LYS A 56 -13.810 3.782 7.015 1.00 13.15 H new ATOM 0 HB3 LYS A 56 -13.698 3.682 5.270 1.00 13.15 H new ATOM 0 HG2 LYS A 56 -15.658 1.803 6.547 1.00 61.04 H new ATOM 0 HG3 LYS A 56 -16.049 3.507 6.664 1.00 61.04 H new ATOM 0 HD2 LYS A 56 -15.904 3.743 4.192 1.00 2.14 H new ATOM 0 HD3 LYS A 56 -15.408 2.070 4.038 1.00 2.14 H new ATOM 0 HE2 LYS A 56 -17.782 2.255 3.492 1.00 72.34 H new ATOM 0 HE3 LYS A 56 -17.604 1.328 4.968 1.00 72.34 H new ATOM 0 HZ1 LYS A 56 -19.387 2.947 5.139 1.00 74.02 H new ATOM 0 HZ2 LYS A 56 -18.157 3.305 6.254 1.00 74.02 H new ATOM 0 HZ3 LYS A 56 -18.306 4.219 4.831 1.00 74.02 H new ATOM 849 N GLU A 57 -13.208 0.847 4.066 1.00 60.24 N ATOM 850 CA GLU A 57 -13.703 -0.178 3.104 1.00 35.42 C ATOM 851 C GLU A 57 -12.573 -1.062 2.536 1.00 14.34 C ATOM 852 O GLU A 57 -12.748 -2.277 2.409 1.00 4.14 O ATOM 853 CB GLU A 57 -14.513 0.479 1.942 1.00 55.22 C ATOM 854 CG GLU A 57 -13.748 1.535 1.119 1.00 72.01 C ATOM 855 CD GLU A 57 -14.457 1.932 -0.188 1.00 72.11 C ATOM 856 OE1 GLU A 57 -14.558 1.076 -1.094 1.00 11.24 O ATOM 857 OE2 GLU A 57 -14.894 3.095 -0.328 1.00 2.31 O ATOM 0 H GLU A 57 -12.738 1.639 3.628 1.00 60.24 H new ATOM 0 HA GLU A 57 -14.367 -0.830 3.672 1.00 35.42 H new ATOM 0 HB2 GLU A 57 -14.852 -0.307 1.268 1.00 55.22 H new ATOM 0 HB3 GLU A 57 -15.405 0.945 2.361 1.00 55.22 H new ATOM 0 HG2 GLU A 57 -13.606 2.426 1.730 1.00 72.01 H new ATOM 0 HG3 GLU A 57 -12.756 1.150 0.882 1.00 72.01 H new ATOM 864 N VAL A 58 -11.419 -0.464 2.248 1.00 44.23 N ATOM 865 CA VAL A 58 -10.343 -1.107 1.458 1.00 20.34 C ATOM 866 C VAL A 58 -9.482 -2.063 2.320 1.00 11.04 C ATOM 867 O VAL A 58 -9.100 -3.158 1.864 1.00 42.13 O ATOM 868 CB VAL A 58 -9.435 -0.006 0.807 1.00 41.02 C ATOM 869 CG1 VAL A 58 -8.254 -0.625 0.061 1.00 30.24 C ATOM 870 CG2 VAL A 58 -10.259 0.919 -0.120 1.00 62.11 C ATOM 0 H VAL A 58 -11.192 0.483 2.552 1.00 44.23 H new ATOM 0 HA VAL A 58 -10.815 -1.706 0.679 1.00 20.34 H new ATOM 0 HB VAL A 58 -9.029 0.605 1.613 1.00 41.02 H new ATOM 0 HG11 VAL A 58 -7.646 0.166 -0.378 1.00 30.24 H new ATOM 0 HG12 VAL A 58 -7.648 -1.205 0.757 1.00 30.24 H new ATOM 0 HG13 VAL A 58 -8.625 -1.278 -0.729 1.00 30.24 H new ATOM 0 HG21 VAL A 58 -9.604 1.673 -0.558 1.00 62.11 H new ATOM 0 HG22 VAL A 58 -10.713 0.327 -0.915 1.00 62.11 H new ATOM 0 HG23 VAL A 58 -11.042 1.410 0.458 1.00 62.11 H new ATOM 880 N LEU A 59 -9.154 -1.634 3.553 1.00 5.43 N ATOM 881 CA LEU A 59 -8.344 -2.453 4.474 1.00 40.53 C ATOM 882 C LEU A 59 -9.069 -3.777 4.886 1.00 33.24 C ATOM 883 O LEU A 59 -8.455 -4.826 4.785 1.00 33.41 O ATOM 884 CB LEU A 59 -7.879 -1.644 5.719 1.00 4.22 C ATOM 885 CG LEU A 59 -6.870 -0.481 5.452 1.00 52.22 C ATOM 886 CD1 LEU A 59 -6.399 0.150 6.783 1.00 13.44 C ATOM 887 CD2 LEU A 59 -5.672 -0.947 4.601 1.00 44.03 C ATOM 0 H LEU A 59 -9.436 -0.730 3.933 1.00 5.43 H new ATOM 0 HA LEU A 59 -7.448 -2.741 3.923 1.00 40.53 H new ATOM 0 HB2 LEU A 59 -8.761 -1.227 6.205 1.00 4.22 H new ATOM 0 HB3 LEU A 59 -7.423 -2.337 6.426 1.00 4.22 H new ATOM 0 HG LEU A 59 -7.392 0.284 4.877 1.00 52.22 H new ATOM 0 HD11 LEU A 59 -5.697 0.958 6.575 1.00 13.44 H new ATOM 0 HD12 LEU A 59 -7.259 0.547 7.322 1.00 13.44 H new ATOM 0 HD13 LEU A 59 -5.908 -0.609 7.392 1.00 13.44 H new ATOM 0 HD21 LEU A 59 -4.994 -0.109 4.438 1.00 44.03 H new ATOM 0 HD22 LEU A 59 -5.144 -1.745 5.123 1.00 44.03 H new ATOM 0 HD23 LEU A 59 -6.030 -1.316 3.640 1.00 44.03 H new ATOM 899 N PRO A 60 -10.382 -3.787 5.334 1.00 35.22 N ATOM 900 CA PRO A 60 -11.103 -5.068 5.631 1.00 14.10 C ATOM 901 C PRO A 60 -11.462 -5.883 4.353 1.00 13.32 C ATOM 902 O PRO A 60 -11.921 -7.028 4.451 1.00 22.11 O ATOM 903 CB PRO A 60 -12.367 -4.591 6.397 1.00 74.25 C ATOM 904 CG PRO A 60 -12.610 -3.196 5.909 1.00 35.23 C ATOM 905 CD PRO A 60 -11.243 -2.602 5.622 1.00 33.53 C ATOM 0 HA PRO A 60 -10.489 -5.763 6.203 1.00 14.10 H new ATOM 0 HB2 PRO A 60 -13.221 -5.236 6.190 1.00 74.25 H new ATOM 0 HB3 PRO A 60 -12.206 -4.610 7.475 1.00 74.25 H new ATOM 0 HG2 PRO A 60 -13.229 -3.200 5.012 1.00 35.23 H new ATOM 0 HG3 PRO A 60 -13.140 -2.608 6.659 1.00 35.23 H new ATOM 0 HD2 PRO A 60 -11.276 -1.918 4.774 1.00 33.53 H new ATOM 0 HD3 PRO A 60 -10.868 -2.035 6.474 1.00 33.53 H new ATOM 913 N LYS A 61 -11.249 -5.268 3.176 1.00 51.22 N ATOM 914 CA LYS A 61 -11.422 -5.913 1.854 1.00 45.01 C ATOM 915 C LYS A 61 -10.266 -6.906 1.583 1.00 30.02 C ATOM 916 O LYS A 61 -10.496 -8.114 1.443 1.00 34.22 O ATOM 917 CB LYS A 61 -11.492 -4.798 0.766 1.00 72.32 C ATOM 918 CG LYS A 61 -11.893 -5.227 -0.666 1.00 61.42 C ATOM 919 CD LYS A 61 -12.077 -3.988 -1.590 1.00 15.10 C ATOM 920 CE LYS A 61 -12.617 -4.326 -2.996 1.00 40.51 C ATOM 921 NZ LYS A 61 -11.590 -4.901 -3.915 1.00 34.21 N ATOM 0 H LYS A 61 -10.948 -4.296 3.111 1.00 51.22 H new ATOM 0 HA LYS A 61 -12.348 -6.488 1.832 1.00 45.01 H new ATOM 0 HB2 LYS A 61 -12.202 -4.042 1.103 1.00 72.32 H new ATOM 0 HB3 LYS A 61 -10.515 -4.317 0.713 1.00 72.32 H new ATOM 0 HG2 LYS A 61 -11.128 -5.883 -1.080 1.00 61.42 H new ATOM 0 HG3 LYS A 61 -12.820 -5.800 -0.632 1.00 61.42 H new ATOM 0 HD2 LYS A 61 -12.760 -3.287 -1.109 1.00 15.10 H new ATOM 0 HD3 LYS A 61 -11.119 -3.479 -1.693 1.00 15.10 H new ATOM 0 HE2 LYS A 61 -13.440 -5.034 -2.898 1.00 40.51 H new ATOM 0 HE3 LYS A 61 -13.026 -3.421 -3.445 1.00 40.51 H new ATOM 0 HZ1 LYS A 61 -12.060 -5.464 -4.653 1.00 34.21 H new ATOM 0 HZ2 LYS A 61 -11.051 -4.130 -4.359 1.00 34.21 H new ATOM 0 HZ3 LYS A 61 -10.943 -5.510 -3.375 1.00 34.21 H new ATOM 935 N TYR A 62 -9.020 -6.389 1.529 1.00 10.04 N ATOM 936 CA TYR A 62 -7.816 -7.224 1.228 1.00 70.24 C ATOM 937 C TYR A 62 -7.203 -7.820 2.492 1.00 32.13 C ATOM 938 O TYR A 62 -6.746 -8.970 2.488 1.00 30.12 O ATOM 939 CB TYR A 62 -6.763 -6.414 0.424 1.00 23.14 C ATOM 940 CG TYR A 62 -7.152 -6.301 -1.044 1.00 70.25 C ATOM 941 CD1 TYR A 62 -8.234 -5.519 -1.425 1.00 3.31 C ATOM 942 CD2 TYR A 62 -6.493 -7.034 -2.031 1.00 71.20 C ATOM 943 CE1 TYR A 62 -8.642 -5.453 -2.732 1.00 41.13 C ATOM 944 CE2 TYR A 62 -6.906 -6.985 -3.345 1.00 74.14 C ATOM 945 CZ TYR A 62 -7.979 -6.192 -3.693 1.00 43.12 C ATOM 946 OH TYR A 62 -8.413 -6.165 -4.992 1.00 3.33 O ATOM 0 H TYR A 62 -8.812 -5.403 1.688 1.00 10.04 H new ATOM 0 HA TYR A 62 -8.148 -8.057 0.609 1.00 70.24 H new ATOM 0 HB2 TYR A 62 -6.663 -5.417 0.853 1.00 23.14 H new ATOM 0 HB3 TYR A 62 -5.789 -6.896 0.508 1.00 23.14 H new ATOM 0 HD1 TYR A 62 -8.765 -4.951 -0.676 1.00 3.31 H new ATOM 0 HD2 TYR A 62 -5.647 -7.649 -1.762 1.00 71.20 H new ATOM 0 HE1 TYR A 62 -9.477 -4.827 -3.009 1.00 41.13 H new ATOM 0 HE2 TYR A 62 -6.392 -7.564 -4.098 1.00 74.14 H new ATOM 0 HH TYR A 62 -7.838 -6.737 -5.541 1.00 3.33 H new ATOM 956 N PHE A 63 -7.190 -7.042 3.560 1.00 12.24 N ATOM 957 CA PHE A 63 -6.700 -7.487 4.874 1.00 71.33 C ATOM 958 C PHE A 63 -7.927 -7.779 5.752 1.00 75.33 C ATOM 959 O PHE A 63 -9.044 -7.914 5.224 1.00 13.12 O ATOM 960 CB PHE A 63 -5.790 -6.380 5.480 1.00 12.03 C ATOM 961 CG PHE A 63 -4.754 -5.840 4.487 1.00 62.21 C ATOM 962 CD1 PHE A 63 -3.704 -6.644 4.046 1.00 72.21 C ATOM 963 CD2 PHE A 63 -4.853 -4.544 3.966 1.00 52.15 C ATOM 964 CE1 PHE A 63 -2.789 -6.168 3.127 1.00 10.14 C ATOM 965 CE2 PHE A 63 -3.934 -4.075 3.040 1.00 60.11 C ATOM 966 CZ PHE A 63 -2.902 -4.889 2.623 1.00 52.41 C ATOM 0 H PHE A 63 -7.519 -6.076 3.551 1.00 12.24 H new ATOM 0 HA PHE A 63 -6.099 -8.393 4.800 1.00 71.33 H new ATOM 0 HB2 PHE A 63 -6.413 -5.557 5.829 1.00 12.03 H new ATOM 0 HB3 PHE A 63 -5.274 -6.780 6.352 1.00 12.03 H new ATOM 0 HD1 PHE A 63 -3.605 -7.650 4.427 1.00 72.21 H new ATOM 0 HD2 PHE A 63 -5.657 -3.900 4.290 1.00 52.15 H new ATOM 0 HE1 PHE A 63 -1.978 -6.803 2.800 1.00 10.14 H new ATOM 0 HE2 PHE A 63 -4.026 -3.074 2.646 1.00 60.11 H new ATOM 0 HZ PHE A 63 -2.184 -4.526 1.903 1.00 52.41 H new ATOM 976 N LYS A 64 -7.745 -7.895 7.076 1.00 23.24 N ATOM 977 CA LYS A 64 -8.873 -8.086 8.014 1.00 50.20 C ATOM 978 C LYS A 64 -8.698 -7.175 9.232 1.00 4.12 C ATOM 979 O LYS A 64 -8.393 -7.621 10.339 1.00 32.41 O ATOM 980 CB LYS A 64 -9.065 -9.597 8.391 1.00 34.34 C ATOM 981 CG LYS A 64 -9.770 -10.422 7.280 1.00 41.24 C ATOM 982 CD LYS A 64 -11.221 -9.930 7.014 1.00 4.30 C ATOM 983 CE LYS A 64 -11.794 -10.437 5.678 1.00 54.15 C ATOM 984 NZ LYS A 64 -11.082 -9.854 4.503 1.00 43.41 N ATOM 0 H LYS A 64 -6.830 -7.861 7.526 1.00 23.24 H new ATOM 0 HA LYS A 64 -9.800 -7.793 7.521 1.00 50.20 H new ATOM 0 HB2 LYS A 64 -8.091 -10.039 8.599 1.00 34.34 H new ATOM 0 HB3 LYS A 64 -9.648 -9.664 9.309 1.00 34.34 H new ATOM 0 HG2 LYS A 64 -9.191 -10.356 6.359 1.00 41.24 H new ATOM 0 HG3 LYS A 64 -9.792 -11.473 7.569 1.00 41.24 H new ATOM 0 HD2 LYS A 64 -11.866 -10.261 7.828 1.00 4.30 H new ATOM 0 HD3 LYS A 64 -11.236 -8.840 7.019 1.00 4.30 H new ATOM 0 HE2 LYS A 64 -11.721 -11.524 5.642 1.00 54.15 H new ATOM 0 HE3 LYS A 64 -12.853 -10.186 5.620 1.00 54.15 H new ATOM 0 HZ1 LYS A 64 -11.766 -9.365 3.890 1.00 43.41 H new ATOM 0 HZ2 LYS A 64 -10.366 -9.176 4.833 1.00 43.41 H new ATOM 0 HZ3 LYS A 64 -10.618 -10.614 3.966 1.00 43.41 H new ATOM 998 N HIS A 65 -8.826 -5.871 8.954 1.00 11.45 N ATOM 999 CA HIS A 65 -8.848 -4.789 9.949 1.00 0.13 C ATOM 1000 C HIS A 65 -9.265 -3.503 9.232 1.00 44.24 C ATOM 1001 O HIS A 65 -9.129 -3.416 8.018 1.00 35.33 O ATOM 1002 CB HIS A 65 -7.454 -4.589 10.619 1.00 72.13 C ATOM 1003 CG HIS A 65 -6.351 -4.213 9.652 1.00 5.43 C ATOM 1004 ND1 HIS A 65 -5.961 -2.912 9.404 1.00 30.53 N ATOM 1005 CD2 HIS A 65 -5.568 -4.984 8.857 1.00 32.44 C ATOM 1006 CE1 HIS A 65 -4.999 -2.906 8.504 1.00 22.14 C ATOM 1007 NE2 HIS A 65 -4.740 -4.146 8.156 1.00 71.42 N ATOM 0 H HIS A 65 -8.920 -5.528 7.998 1.00 11.45 H new ATOM 0 HA HIS A 65 -9.552 -5.046 10.741 1.00 0.13 H new ATOM 0 HB2 HIS A 65 -7.536 -3.812 11.379 1.00 72.13 H new ATOM 0 HB3 HIS A 65 -7.174 -5.509 11.132 1.00 72.13 H new ATOM 0 HD1 HIS A 65 -6.357 -2.084 9.849 1.00 30.53 H new ATOM 0 HD2 HIS A 65 -5.592 -6.062 8.789 1.00 32.44 H new ATOM 0 HE1 HIS A 65 -4.505 -2.027 8.116 1.00 22.14 H new ATOM 1016 N ASN A 66 -9.729 -2.504 9.982 1.00 61.12 N ATOM 1017 CA ASN A 66 -10.081 -1.181 9.423 1.00 72.31 C ATOM 1018 C ASN A 66 -9.197 -0.085 10.037 1.00 3.00 C ATOM 1019 O ASN A 66 -9.264 1.075 9.637 1.00 63.11 O ATOM 1020 CB ASN A 66 -11.596 -0.880 9.612 1.00 24.41 C ATOM 1021 CG ASN A 66 -12.106 -1.018 11.053 1.00 64.13 C ATOM 1022 OD1 ASN A 66 -11.381 -0.815 12.028 1.00 24.12 O ATOM 1023 ND2 ASN A 66 -13.374 -1.373 11.194 1.00 72.03 N ATOM 0 H ASN A 66 -9.874 -2.579 10.989 1.00 61.12 H new ATOM 0 HA ASN A 66 -9.890 -1.196 8.350 1.00 72.31 H new ATOM 0 HB2 ASN A 66 -11.796 0.134 9.266 1.00 24.41 H new ATOM 0 HB3 ASN A 66 -12.168 -1.553 8.973 1.00 24.41 H new ATOM 0 HD21 ASN A 66 -13.772 -1.484 12.127 1.00 72.03 H new ATOM 0 HD22 ASN A 66 -13.953 -1.535 10.370 1.00 72.03 H new ATOM 1030 N ASN A 67 -8.377 -0.480 11.026 1.00 34.35 N ATOM 1031 CA ASN A 67 -7.415 0.404 11.690 1.00 65.41 C ATOM 1032 C ASN A 67 -6.241 0.729 10.746 1.00 73.32 C ATOM 1033 O ASN A 67 -5.494 -0.176 10.333 1.00 50.11 O ATOM 1034 CB ASN A 67 -6.900 -0.273 12.988 1.00 64.04 C ATOM 1035 CG ASN A 67 -5.915 0.585 13.787 1.00 42.13 C ATOM 1036 OD1 ASN A 67 -5.970 1.811 13.760 1.00 50.34 O ATOM 1037 ND2 ASN A 67 -4.999 -0.049 14.493 1.00 33.31 N ATOM 0 H ASN A 67 -8.367 -1.434 11.388 1.00 34.35 H new ATOM 0 HA ASN A 67 -7.909 1.340 11.949 1.00 65.41 H new ATOM 0 HB2 ASN A 67 -7.753 -0.516 13.622 1.00 64.04 H new ATOM 0 HB3 ASN A 67 -6.418 -1.215 12.728 1.00 64.04 H new ATOM 0 HD21 ASN A 67 -4.315 0.480 15.033 1.00 33.31 H new ATOM 0 HD22 ASN A 67 -4.975 -1.069 14.499 1.00 33.31 H new ATOM 1044 N MET A 68 -6.083 2.020 10.410 1.00 32.14 N ATOM 1045 CA MET A 68 -4.960 2.495 9.575 1.00 43.13 C ATOM 1046 C MET A 68 -3.634 2.432 10.347 1.00 61.04 C ATOM 1047 O MET A 68 -2.593 2.199 9.742 1.00 51.34 O ATOM 1048 CB MET A 68 -5.228 3.924 9.028 1.00 45.32 C ATOM 1049 CG MET A 68 -3.999 4.636 8.418 1.00 71.25 C ATOM 1050 SD MET A 68 -4.426 5.829 7.134 1.00 32.34 S ATOM 1051 CE MET A 68 -4.842 4.736 5.768 1.00 65.22 C ATOM 0 H MET A 68 -6.721 2.759 10.704 1.00 32.14 H new ATOM 0 HA MET A 68 -4.877 1.827 8.718 1.00 43.13 H new ATOM 0 HB2 MET A 68 -6.008 3.865 8.269 1.00 45.32 H new ATOM 0 HB3 MET A 68 -5.619 4.539 9.839 1.00 45.32 H new ATOM 0 HG2 MET A 68 -3.454 5.147 9.211 1.00 71.25 H new ATOM 0 HG3 MET A 68 -3.326 3.888 7.999 1.00 71.25 H new ATOM 0 HE1 MET A 68 -4.134 4.887 4.953 1.00 65.22 H new ATOM 0 HE2 MET A 68 -4.794 3.700 6.103 1.00 65.22 H new ATOM 0 HE3 MET A 68 -5.850 4.958 5.419 1.00 65.22 H new ATOM 1061 N ALA A 69 -3.689 2.603 11.681 1.00 44.33 N ATOM 1062 CA ALA A 69 -2.494 2.497 12.549 1.00 53.32 C ATOM 1063 C ALA A 69 -1.819 1.119 12.404 1.00 62.53 C ATOM 1064 O ALA A 69 -0.591 1.020 12.424 1.00 64.13 O ATOM 1065 CB ALA A 69 -2.865 2.766 14.011 1.00 53.34 C ATOM 0 H ALA A 69 -4.550 2.816 12.185 1.00 44.33 H new ATOM 0 HA ALA A 69 -1.779 3.254 12.228 1.00 53.32 H new ATOM 0 HB1 ALA A 69 -1.974 2.684 14.634 1.00 53.34 H new ATOM 0 HB2 ALA A 69 -3.280 3.770 14.102 1.00 53.34 H new ATOM 0 HB3 ALA A 69 -3.605 2.036 14.339 1.00 53.34 H new ATOM 1071 N SER A 70 -2.656 0.076 12.232 1.00 73.04 N ATOM 1072 CA SER A 70 -2.212 -1.293 11.927 1.00 34.21 C ATOM 1073 C SER A 70 -1.505 -1.370 10.557 1.00 14.32 C ATOM 1074 O SER A 70 -0.418 -1.940 10.452 1.00 10.11 O ATOM 1075 CB SER A 70 -3.431 -2.240 11.952 1.00 23.12 C ATOM 1076 OG SER A 70 -3.059 -3.581 11.697 1.00 11.11 O ATOM 0 H SER A 70 -3.670 0.165 12.302 1.00 73.04 H new ATOM 0 HA SER A 70 -1.490 -1.598 12.684 1.00 34.21 H new ATOM 0 HB2 SER A 70 -3.921 -2.177 12.924 1.00 23.12 H new ATOM 0 HB3 SER A 70 -4.158 -1.916 11.207 1.00 23.12 H new ATOM 0 HG SER A 70 -3.855 -4.152 11.722 1.00 11.11 H new ATOM 1082 N PHE A 71 -2.125 -0.753 9.530 1.00 60.21 N ATOM 1083 CA PHE A 71 -1.631 -0.787 8.135 1.00 1.40 C ATOM 1084 C PHE A 71 -0.253 -0.107 8.019 1.00 15.25 C ATOM 1085 O PHE A 71 0.703 -0.701 7.510 1.00 25.24 O ATOM 1086 CB PHE A 71 -2.668 -0.088 7.214 1.00 51.33 C ATOM 1087 CG PHE A 71 -2.269 0.046 5.743 1.00 32.44 C ATOM 1088 CD1 PHE A 71 -2.068 -1.084 4.948 1.00 64.44 C ATOM 1089 CD2 PHE A 71 -2.134 1.304 5.147 1.00 30.32 C ATOM 1090 CE1 PHE A 71 -1.739 -0.960 3.611 1.00 10.30 C ATOM 1091 CE2 PHE A 71 -1.800 1.426 3.810 1.00 75.44 C ATOM 1092 CZ PHE A 71 -1.607 0.294 3.041 1.00 73.30 C ATOM 0 H PHE A 71 -2.984 -0.216 9.644 1.00 60.21 H new ATOM 0 HA PHE A 71 -1.509 -1.825 7.824 1.00 1.40 H new ATOM 0 HB2 PHE A 71 -3.605 -0.642 7.268 1.00 51.33 H new ATOM 0 HB3 PHE A 71 -2.864 0.908 7.610 1.00 51.33 H new ATOM 0 HD1 PHE A 71 -2.171 -2.067 5.383 1.00 64.44 H new ATOM 0 HD2 PHE A 71 -2.293 2.193 5.739 1.00 30.32 H new ATOM 0 HE1 PHE A 71 -1.585 -1.844 3.010 1.00 10.30 H new ATOM 0 HE2 PHE A 71 -1.690 2.405 3.368 1.00 75.44 H new ATOM 0 HZ PHE A 71 -1.353 0.388 1.995 1.00 73.30 H new ATOM 1102 N VAL A 72 -0.180 1.135 8.518 1.00 51.52 N ATOM 1103 CA VAL A 72 1.053 1.934 8.562 1.00 0.05 C ATOM 1104 C VAL A 72 2.156 1.219 9.379 1.00 64.32 C ATOM 1105 O VAL A 72 3.312 1.198 8.952 1.00 32.13 O ATOM 1106 CB VAL A 72 0.755 3.367 9.146 1.00 2.43 C ATOM 1107 CG1 VAL A 72 2.034 4.220 9.269 1.00 23.35 C ATOM 1108 CG2 VAL A 72 -0.307 4.099 8.286 1.00 64.34 C ATOM 0 H VAL A 72 -0.988 1.620 8.908 1.00 51.52 H new ATOM 0 HA VAL A 72 1.423 2.047 7.543 1.00 0.05 H new ATOM 0 HB VAL A 72 0.358 3.229 10.152 1.00 2.43 H new ATOM 0 HG11 VAL A 72 1.781 5.199 9.676 1.00 23.35 H new ATOM 0 HG12 VAL A 72 2.740 3.723 9.934 1.00 23.35 H new ATOM 0 HG13 VAL A 72 2.486 4.342 8.285 1.00 23.35 H new ATOM 0 HG21 VAL A 72 -0.498 5.086 8.706 1.00 64.34 H new ATOM 0 HG22 VAL A 72 0.061 4.204 7.265 1.00 64.34 H new ATOM 0 HG23 VAL A 72 -1.232 3.522 8.281 1.00 64.34 H new ATOM 1118 N ARG A 73 1.771 0.590 10.519 1.00 72.43 N ATOM 1119 CA ARG A 73 2.708 -0.185 11.377 1.00 33.04 C ATOM 1120 C ARG A 73 3.407 -1.301 10.585 1.00 73.35 C ATOM 1121 O ARG A 73 4.633 -1.477 10.703 1.00 4.32 O ATOM 1122 CB ARG A 73 1.969 -0.817 12.590 1.00 54.11 C ATOM 1123 CG ARG A 73 2.874 -1.664 13.515 1.00 2.44 C ATOM 1124 CD ARG A 73 2.101 -2.391 14.631 1.00 3.33 C ATOM 1125 NE ARG A 73 2.987 -3.291 15.398 1.00 62.42 N ATOM 1126 CZ ARG A 73 2.926 -4.636 15.397 1.00 42.14 C ATOM 1127 NH1 ARG A 73 2.014 -5.282 14.668 1.00 64.41 N ATOM 1128 NH2 ARG A 73 3.805 -5.335 16.106 1.00 34.02 N ATOM 0 H ARG A 73 0.813 0.604 10.868 1.00 72.43 H new ATOM 0 HA ARG A 73 3.457 0.520 11.736 1.00 33.04 H new ATOM 0 HB2 ARG A 73 1.513 -0.021 13.178 1.00 54.11 H new ATOM 0 HB3 ARG A 73 1.158 -1.445 12.220 1.00 54.11 H new ATOM 0 HG2 ARG A 73 3.407 -2.401 12.914 1.00 2.44 H new ATOM 0 HG3 ARG A 73 3.626 -1.017 13.967 1.00 2.44 H new ATOM 0 HD2 ARG A 73 1.653 -1.659 15.303 1.00 3.33 H new ATOM 0 HD3 ARG A 73 1.284 -2.966 14.195 1.00 3.33 H new ATOM 0 HE ARG A 73 3.706 -2.857 15.977 1.00 62.42 H new ATOM 0 HH11 ARG A 73 1.349 -4.756 14.100 1.00 64.41 H new ATOM 0 HH12 ARG A 73 1.981 -6.301 14.679 1.00 64.41 H new ATOM 0 HH21 ARG A 73 4.522 -4.853 16.648 1.00 34.02 H new ATOM 0 HH22 ARG A 73 3.763 -6.354 16.109 1.00 34.02 H new ATOM 1142 N GLN A 74 2.616 -2.021 9.760 1.00 40.54 N ATOM 1143 CA GLN A 74 3.130 -3.089 8.892 1.00 22.24 C ATOM 1144 C GLN A 74 4.196 -2.521 7.935 1.00 11.32 C ATOM 1145 O GLN A 74 5.308 -3.033 7.869 1.00 1.43 O ATOM 1146 CB GLN A 74 1.985 -3.734 8.067 1.00 73.41 C ATOM 1147 CG GLN A 74 0.862 -4.421 8.873 1.00 14.30 C ATOM 1148 CD GLN A 74 1.333 -5.602 9.730 1.00 51.12 C ATOM 1149 OE1 GLN A 74 1.633 -5.446 10.912 1.00 13.42 O ATOM 1150 NE2 GLN A 74 1.413 -6.786 9.135 1.00 21.41 N ATOM 0 H GLN A 74 1.610 -1.875 9.681 1.00 40.54 H new ATOM 0 HA GLN A 74 3.577 -3.855 9.525 1.00 22.24 H new ATOM 0 HB2 GLN A 74 1.535 -2.961 7.444 1.00 73.41 H new ATOM 0 HB3 GLN A 74 2.422 -4.471 7.394 1.00 73.41 H new ATOM 0 HG2 GLN A 74 0.391 -3.682 9.521 1.00 14.30 H new ATOM 0 HG3 GLN A 74 0.096 -4.772 8.181 1.00 14.30 H new ATOM 0 HE21 GLN A 74 1.156 -6.881 8.152 1.00 21.41 H new ATOM 0 HE22 GLN A 74 1.731 -7.600 9.660 1.00 21.41 H new ATOM 1159 N LEU A 75 3.845 -1.406 7.264 1.00 73.20 N ATOM 1160 CA LEU A 75 4.696 -0.735 6.266 1.00 2.22 C ATOM 1161 C LEU A 75 6.059 -0.304 6.859 1.00 72.34 C ATOM 1162 O LEU A 75 7.094 -0.539 6.246 1.00 32.11 O ATOM 1163 CB LEU A 75 3.930 0.486 5.689 1.00 5.41 C ATOM 1164 CG LEU A 75 2.604 0.148 4.931 1.00 60.00 C ATOM 1165 CD1 LEU A 75 1.769 1.415 4.681 1.00 5.13 C ATOM 1166 CD2 LEU A 75 2.886 -0.587 3.607 1.00 64.43 C ATOM 0 H LEU A 75 2.948 -0.941 7.404 1.00 73.20 H new ATOM 0 HA LEU A 75 4.917 -1.442 5.467 1.00 2.22 H new ATOM 0 HB2 LEU A 75 3.697 1.167 6.507 1.00 5.41 H new ATOM 0 HB3 LEU A 75 4.592 1.020 5.008 1.00 5.41 H new ATOM 0 HG LEU A 75 2.025 -0.520 5.569 1.00 60.00 H new ATOM 0 HD11 LEU A 75 0.853 1.149 4.153 1.00 5.13 H new ATOM 0 HD12 LEU A 75 1.516 1.878 5.635 1.00 5.13 H new ATOM 0 HD13 LEU A 75 2.345 2.117 4.078 1.00 5.13 H new ATOM 0 HD21 LEU A 75 1.944 -0.807 3.105 1.00 64.43 H new ATOM 0 HD22 LEU A 75 3.501 0.044 2.965 1.00 64.43 H new ATOM 0 HD23 LEU A 75 3.414 -1.518 3.813 1.00 64.43 H new ATOM 1178 N ASN A 76 6.039 0.281 8.074 1.00 22.20 N ATOM 1179 CA ASN A 76 7.270 0.661 8.825 1.00 50.44 C ATOM 1180 C ASN A 76 8.204 -0.549 9.052 1.00 20.23 C ATOM 1181 O ASN A 76 9.433 -0.423 8.946 1.00 22.42 O ATOM 1182 CB ASN A 76 6.913 1.316 10.199 1.00 71.11 C ATOM 1183 CG ASN A 76 6.457 2.775 10.077 1.00 73.50 C ATOM 1184 OD1 ASN A 76 7.277 3.684 10.069 1.00 4.33 O ATOM 1185 ND2 ASN A 76 5.158 3.016 10.037 1.00 11.21 N ATOM 0 H ASN A 76 5.175 0.506 8.568 1.00 22.20 H new ATOM 0 HA ASN A 76 7.799 1.389 8.210 1.00 50.44 H new ATOM 0 HB2 ASN A 76 6.124 0.735 10.676 1.00 71.11 H new ATOM 0 HB3 ASN A 76 7.784 1.269 10.853 1.00 71.11 H new ATOM 0 HD21 ASN A 76 4.819 3.977 9.998 1.00 11.21 H new ATOM 0 HD22 ASN A 76 4.495 2.241 10.045 1.00 11.21 H new ATOM 1192 N MET A 77 7.602 -1.714 9.352 1.00 10.24 N ATOM 1193 CA MET A 77 8.343 -2.982 9.534 1.00 73.31 C ATOM 1194 C MET A 77 8.844 -3.529 8.184 1.00 31.13 C ATOM 1195 O MET A 77 9.944 -4.082 8.105 1.00 2.31 O ATOM 1196 CB MET A 77 7.458 -4.034 10.260 1.00 55.41 C ATOM 1197 CG MET A 77 7.085 -3.648 11.698 1.00 21.11 C ATOM 1198 SD MET A 77 6.210 -4.955 12.595 1.00 2.22 S ATOM 1199 CE MET A 77 4.694 -5.143 11.652 1.00 0.32 C ATOM 0 H MET A 77 6.594 -1.806 9.475 1.00 10.24 H new ATOM 0 HA MET A 77 9.214 -2.777 10.157 1.00 73.31 H new ATOM 0 HB2 MET A 77 6.544 -4.183 9.686 1.00 55.41 H new ATOM 0 HB3 MET A 77 7.984 -4.988 10.275 1.00 55.41 H new ATOM 0 HG2 MET A 77 7.993 -3.390 12.243 1.00 21.11 H new ATOM 0 HG3 MET A 77 6.462 -2.754 11.675 1.00 21.11 H new ATOM 0 HE1 MET A 77 4.045 -5.866 12.146 1.00 0.32 H new ATOM 0 HE2 MET A 77 4.184 -4.182 11.588 1.00 0.32 H new ATOM 0 HE3 MET A 77 4.931 -5.495 10.648 1.00 0.32 H new ATOM 1209 N TYR A 78 8.044 -3.326 7.119 1.00 10.25 N ATOM 1210 CA TYR A 78 8.387 -3.780 5.752 1.00 72.41 C ATOM 1211 C TYR A 78 9.274 -2.742 5.023 1.00 41.44 C ATOM 1212 O TYR A 78 9.610 -2.912 3.845 1.00 45.55 O ATOM 1213 CB TYR A 78 7.102 -4.092 4.930 1.00 11.11 C ATOM 1214 CG TYR A 78 6.400 -5.411 5.300 1.00 20.21 C ATOM 1215 CD1 TYR A 78 6.927 -6.639 4.894 1.00 0.40 C ATOM 1216 CD2 TYR A 78 5.211 -5.431 6.029 1.00 51.01 C ATOM 1217 CE1 TYR A 78 6.294 -7.826 5.208 1.00 51.24 C ATOM 1218 CE2 TYR A 78 4.579 -6.616 6.347 1.00 31.51 C ATOM 1219 CZ TYR A 78 5.121 -7.808 5.933 1.00 25.32 C ATOM 1220 OH TYR A 78 4.490 -8.991 6.247 1.00 10.41 O ATOM 0 H TYR A 78 7.146 -2.846 7.179 1.00 10.25 H new ATOM 0 HA TYR A 78 8.961 -4.702 5.842 1.00 72.41 H new ATOM 0 HB2 TYR A 78 6.396 -3.272 5.062 1.00 11.11 H new ATOM 0 HB3 TYR A 78 7.363 -4.121 3.872 1.00 11.11 H new ATOM 0 HD1 TYR A 78 7.845 -6.661 4.325 1.00 0.40 H new ATOM 0 HD2 TYR A 78 4.775 -4.497 6.352 1.00 51.01 H new ATOM 0 HE1 TYR A 78 6.717 -8.766 4.886 1.00 51.24 H new ATOM 0 HE2 TYR A 78 3.663 -6.606 6.919 1.00 31.51 H new ATOM 0 HH TYR A 78 3.678 -8.802 6.762 1.00 10.41 H new ATOM 1230 N GLY A 79 9.636 -1.661 5.732 1.00 11.34 N ATOM 1231 CA GLY A 79 10.626 -0.701 5.245 1.00 55.53 C ATOM 1232 C GLY A 79 10.093 0.301 4.227 1.00 63.42 C ATOM 1233 O GLY A 79 10.881 0.961 3.543 1.00 13.21 O ATOM 0 H GLY A 79 9.252 -1.434 6.649 1.00 11.34 H new ATOM 0 HA2 GLY A 79 11.031 -0.153 6.096 1.00 55.53 H new ATOM 0 HA3 GLY A 79 11.454 -1.249 4.796 1.00 55.53 H new ATOM 1237 N PHE A 80 8.761 0.427 4.128 1.00 34.14 N ATOM 1238 CA PHE A 80 8.119 1.407 3.242 1.00 34.24 C ATOM 1239 C PHE A 80 8.263 2.812 3.822 1.00 12.15 C ATOM 1240 O PHE A 80 7.927 3.064 4.986 1.00 30.13 O ATOM 1241 CB PHE A 80 6.627 1.071 3.024 1.00 3.44 C ATOM 1242 CG PHE A 80 6.408 -0.129 2.120 1.00 60.51 C ATOM 1243 CD1 PHE A 80 6.412 -1.423 2.630 1.00 50.33 C ATOM 1244 CD2 PHE A 80 6.230 0.041 0.747 1.00 15.52 C ATOM 1245 CE1 PHE A 80 6.224 -2.509 1.803 1.00 40.43 C ATOM 1246 CE2 PHE A 80 6.039 -1.046 -0.075 1.00 73.24 C ATOM 1247 CZ PHE A 80 6.047 -2.321 0.450 1.00 61.44 C ATOM 0 H PHE A 80 8.103 -0.145 4.657 1.00 34.14 H new ATOM 0 HA PHE A 80 8.618 1.366 2.274 1.00 34.24 H new ATOM 0 HB2 PHE A 80 6.160 0.880 3.990 1.00 3.44 H new ATOM 0 HB3 PHE A 80 6.126 1.938 2.594 1.00 3.44 H new ATOM 0 HD1 PHE A 80 6.564 -1.579 3.688 1.00 50.33 H new ATOM 0 HD2 PHE A 80 6.242 1.035 0.325 1.00 15.52 H new ATOM 0 HE1 PHE A 80 6.215 -3.507 2.215 1.00 40.43 H new ATOM 0 HE2 PHE A 80 5.882 -0.900 -1.134 1.00 73.24 H new ATOM 0 HZ PHE A 80 5.914 -3.173 -0.200 1.00 61.44 H new ATOM 1257 N ARG A 81 8.733 3.720 2.980 1.00 44.43 N ATOM 1258 CA ARG A 81 9.043 5.092 3.359 1.00 14.03 C ATOM 1259 C ARG A 81 7.881 6.001 2.940 1.00 64.22 C ATOM 1260 O ARG A 81 7.516 6.063 1.764 1.00 33.45 O ATOM 1261 CB ARG A 81 10.369 5.487 2.663 1.00 54.12 C ATOM 1262 CG ARG A 81 10.743 6.975 2.733 1.00 71.01 C ATOM 1263 CD ARG A 81 12.107 7.243 2.077 1.00 62.34 C ATOM 1264 NE ARG A 81 12.365 8.674 1.866 1.00 3.31 N ATOM 1265 CZ ARG A 81 13.347 9.161 1.092 1.00 32.31 C ATOM 1266 NH1 ARG A 81 14.191 8.340 0.456 1.00 24.02 N ATOM 1267 NH2 ARG A 81 13.468 10.471 0.943 1.00 55.13 N ATOM 0 H ARG A 81 8.913 3.521 1.996 1.00 44.43 H new ATOM 0 HA ARG A 81 9.168 5.195 4.437 1.00 14.03 H new ATOM 0 HB2 ARG A 81 11.178 4.907 3.108 1.00 54.12 H new ATOM 0 HB3 ARG A 81 10.308 5.196 1.614 1.00 54.12 H new ATOM 0 HG2 ARG A 81 9.976 7.568 2.235 1.00 71.01 H new ATOM 0 HG3 ARG A 81 10.769 7.296 3.774 1.00 71.01 H new ATOM 0 HD2 ARG A 81 12.895 6.825 2.703 1.00 62.34 H new ATOM 0 HD3 ARG A 81 12.153 6.725 1.119 1.00 62.34 H new ATOM 0 HE ARG A 81 11.757 9.342 2.340 1.00 3.31 H new ATOM 0 HH11 ARG A 81 14.092 7.330 0.556 1.00 24.02 H new ATOM 0 HH12 ARG A 81 14.933 8.725 -0.129 1.00 24.02 H new ATOM 0 HH21 ARG A 81 12.818 11.100 1.414 1.00 55.13 H new ATOM 0 HH22 ARG A 81 14.211 10.851 0.357 1.00 55.13 H new ATOM 1281 N LYS A 82 7.312 6.691 3.930 1.00 21.11 N ATOM 1282 CA LYS A 82 6.137 7.553 3.775 1.00 52.41 C ATOM 1283 C LYS A 82 6.568 8.925 3.225 1.00 53.14 C ATOM 1284 O LYS A 82 7.449 9.576 3.794 1.00 45.14 O ATOM 1285 CB LYS A 82 5.450 7.667 5.177 1.00 3.34 C ATOM 1286 CG LYS A 82 4.110 8.443 5.238 1.00 0.11 C ATOM 1287 CD LYS A 82 4.268 9.980 5.349 1.00 53.41 C ATOM 1288 CE LYS A 82 2.913 10.704 5.434 1.00 31.35 C ATOM 1289 NZ LYS A 82 2.156 10.370 6.673 1.00 10.32 N ATOM 0 H LYS A 82 7.664 6.666 4.887 1.00 21.11 H new ATOM 0 HA LYS A 82 5.425 7.137 3.062 1.00 52.41 H new ATOM 0 HB2 LYS A 82 5.276 6.659 5.553 1.00 3.34 H new ATOM 0 HB3 LYS A 82 6.151 8.146 5.861 1.00 3.34 H new ATOM 0 HG2 LYS A 82 3.529 8.213 4.345 1.00 0.11 H new ATOM 0 HG3 LYS A 82 3.535 8.086 6.093 1.00 0.11 H new ATOM 0 HD2 LYS A 82 4.861 10.219 6.232 1.00 53.41 H new ATOM 0 HD3 LYS A 82 4.821 10.349 4.485 1.00 53.41 H new ATOM 0 HE2 LYS A 82 3.078 11.781 5.394 1.00 31.35 H new ATOM 0 HE3 LYS A 82 2.311 10.442 4.564 1.00 31.35 H new ATOM 0 HZ1 LYS A 82 1.301 10.960 6.727 1.00 10.32 H new ATOM 0 HZ2 LYS A 82 1.883 9.367 6.653 1.00 10.32 H new ATOM 0 HZ3 LYS A 82 2.754 10.550 7.504 1.00 10.32 H new ATOM 1303 N VAL A 83 5.934 9.356 2.124 1.00 31.55 N ATOM 1304 CA VAL A 83 6.145 10.676 1.512 1.00 41.42 C ATOM 1305 C VAL A 83 4.772 11.334 1.307 1.00 64.21 C ATOM 1306 O VAL A 83 3.935 10.792 0.582 1.00 51.03 O ATOM 1307 CB VAL A 83 6.907 10.560 0.128 1.00 72.11 C ATOM 1308 CG1 VAL A 83 7.112 11.942 -0.539 1.00 52.21 C ATOM 1309 CG2 VAL A 83 8.256 9.823 0.302 1.00 60.41 C ATOM 0 H VAL A 83 5.249 8.787 1.626 1.00 31.55 H new ATOM 0 HA VAL A 83 6.766 11.282 2.172 1.00 41.42 H new ATOM 0 HB VAL A 83 6.278 9.971 -0.540 1.00 72.11 H new ATOM 0 HG11 VAL A 83 7.638 11.815 -1.485 1.00 52.21 H new ATOM 0 HG12 VAL A 83 6.142 12.405 -0.722 1.00 52.21 H new ATOM 0 HG13 VAL A 83 7.700 12.581 0.120 1.00 52.21 H new ATOM 0 HG21 VAL A 83 8.761 9.756 -0.662 1.00 60.41 H new ATOM 0 HG22 VAL A 83 8.884 10.374 1.003 1.00 60.41 H new ATOM 0 HG23 VAL A 83 8.075 8.820 0.688 1.00 60.41 H new ATOM 1319 N VAL A 84 4.543 12.495 1.928 1.00 3.30 N ATOM 1320 CA VAL A 84 3.255 13.200 1.840 1.00 54.42 C ATOM 1321 C VAL A 84 3.386 14.323 0.797 1.00 64.33 C ATOM 1322 O VAL A 84 4.319 15.130 0.851 1.00 54.12 O ATOM 1323 CB VAL A 84 2.785 13.762 3.238 1.00 24.41 C ATOM 1324 CG1 VAL A 84 3.819 14.712 3.877 1.00 32.15 C ATOM 1325 CG2 VAL A 84 1.392 14.425 3.128 1.00 71.10 C ATOM 0 H VAL A 84 5.238 12.972 2.503 1.00 3.30 H new ATOM 0 HA VAL A 84 2.484 12.495 1.529 1.00 54.42 H new ATOM 0 HB VAL A 84 2.701 12.909 3.911 1.00 24.41 H new ATOM 0 HG11 VAL A 84 3.442 15.068 4.836 1.00 32.15 H new ATOM 0 HG12 VAL A 84 4.757 14.179 4.031 1.00 32.15 H new ATOM 0 HG13 VAL A 84 3.989 15.562 3.216 1.00 32.15 H new ATOM 0 HG21 VAL A 84 1.091 14.804 4.105 1.00 71.10 H new ATOM 0 HG22 VAL A 84 1.437 15.250 2.417 1.00 71.10 H new ATOM 0 HG23 VAL A 84 0.665 13.689 2.785 1.00 71.10 H new ATOM 1335 N HIS A 85 2.480 14.331 -0.187 1.00 61.35 N ATOM 1336 CA HIS A 85 2.511 15.316 -1.290 1.00 51.14 C ATOM 1337 C HIS A 85 1.483 16.424 -1.052 1.00 73.03 C ATOM 1338 O HIS A 85 1.629 17.540 -1.571 1.00 31.13 O ATOM 1339 CB HIS A 85 2.285 14.602 -2.645 1.00 11.24 C ATOM 1340 CG HIS A 85 3.375 13.598 -2.978 1.00 60.32 C ATOM 1341 ND1 HIS A 85 4.366 13.834 -3.911 1.00 63.23 N ATOM 1342 CD2 HIS A 85 3.632 12.352 -2.486 1.00 3.53 C ATOM 1343 CE1 HIS A 85 5.177 12.792 -3.968 1.00 4.12 C ATOM 1344 NE2 HIS A 85 4.752 11.885 -3.120 1.00 72.10 N ATOM 0 H HIS A 85 1.710 13.665 -0.248 1.00 61.35 H new ATOM 0 HA HIS A 85 3.493 15.788 -1.320 1.00 51.14 H new ATOM 0 HB2 HIS A 85 1.323 14.091 -2.624 1.00 11.24 H new ATOM 0 HB3 HIS A 85 2.232 15.348 -3.438 1.00 11.24 H new ATOM 0 HD2 HIS A 85 3.058 11.830 -1.735 1.00 3.53 H new ATOM 0 HE1 HIS A 85 6.044 12.702 -4.606 1.00 4.12 H new ATOM 0 HE2 HIS A 85 5.187 10.977 -2.959 1.00 72.10 H new ATOM 1353 N ILE A 86 0.449 16.113 -0.252 1.00 72.42 N ATOM 1354 CA ILE A 86 -0.582 17.089 0.124 1.00 53.45 C ATOM 1355 C ILE A 86 -0.239 17.716 1.467 1.00 74.04 C ATOM 1356 O ILE A 86 -0.389 17.086 2.523 1.00 62.11 O ATOM 1357 CB ILE A 86 -2.018 16.455 0.185 1.00 61.12 C ATOM 1358 CG1 ILE A 86 -2.360 15.772 -1.170 1.00 40.41 C ATOM 1359 CG2 ILE A 86 -3.091 17.504 0.572 1.00 64.51 C ATOM 1360 CD1 ILE A 86 -2.133 16.625 -2.405 1.00 64.30 C ATOM 0 H ILE A 86 0.307 15.186 0.148 1.00 72.42 H new ATOM 0 HA ILE A 86 -0.598 17.854 -0.652 1.00 53.45 H new ATOM 0 HB ILE A 86 -2.020 15.695 0.967 1.00 61.12 H new ATOM 0 HG12 ILE A 86 -1.763 14.865 -1.261 1.00 40.41 H new ATOM 0 HG13 ILE A 86 -3.406 15.465 -1.149 1.00 40.41 H new ATOM 0 HG21 ILE A 86 -4.071 17.028 0.604 1.00 64.51 H new ATOM 0 HG22 ILE A 86 -2.857 17.919 1.552 1.00 64.51 H new ATOM 0 HG23 ILE A 86 -3.101 18.305 -0.168 1.00 64.51 H new ATOM 0 HD11 ILE A 86 -2.402 16.056 -3.295 1.00 64.30 H new ATOM 0 HD12 ILE A 86 -2.751 17.521 -2.347 1.00 64.30 H new ATOM 0 HD13 ILE A 86 -1.083 16.912 -2.461 1.00 64.30 H new ATOM 1372 N GLU A 87 0.255 18.949 1.397 1.00 34.34 N ATOM 1373 CA GLU A 87 0.411 19.813 2.564 1.00 24.14 C ATOM 1374 C GLU A 87 -0.995 20.215 3.035 1.00 30.43 C ATOM 1375 O GLU A 87 -1.742 20.840 2.264 1.00 3.05 O ATOM 1376 CB GLU A 87 1.243 21.056 2.190 1.00 3.25 C ATOM 1377 CG GLU A 87 2.589 20.727 1.518 1.00 72.11 C ATOM 1378 CD GLU A 87 3.388 21.973 1.133 1.00 34.44 C ATOM 1379 OE1 GLU A 87 3.035 22.623 0.132 1.00 14.41 O ATOM 1380 OE2 GLU A 87 4.376 22.309 1.828 1.00 3.13 O ATOM 0 H GLU A 87 0.560 19.380 0.524 1.00 34.34 H new ATOM 0 HA GLU A 87 0.937 19.294 3.365 1.00 24.14 H new ATOM 0 HB2 GLU A 87 0.657 21.685 1.519 1.00 3.25 H new ATOM 0 HB3 GLU A 87 1.431 21.640 3.091 1.00 3.25 H new ATOM 0 HG2 GLU A 87 3.186 20.115 2.194 1.00 72.11 H new ATOM 0 HG3 GLU A 87 2.406 20.130 0.625 1.00 72.11 H new ATOM 1387 N GLN A 88 -1.331 19.834 4.278 1.00 31.51 N ATOM 1388 CA GLN A 88 -2.702 19.906 4.824 1.00 42.04 C ATOM 1389 C GLN A 88 -3.249 21.342 4.784 1.00 63.03 C ATOM 1390 O GLN A 88 -2.787 22.228 5.513 1.00 11.31 O ATOM 1391 CB GLN A 88 -2.774 19.305 6.265 1.00 4.04 C ATOM 1392 CG GLN A 88 -2.597 17.762 6.324 1.00 53.31 C ATOM 1393 CD GLN A 88 -1.191 17.260 5.951 1.00 0.13 C ATOM 1394 OE1 GLN A 88 -0.192 17.926 6.215 1.00 74.03 O ATOM 1395 NE2 GLN A 88 -1.107 16.125 5.276 1.00 42.23 N ATOM 0 H GLN A 88 -0.652 19.462 4.942 1.00 31.51 H new ATOM 0 HA GLN A 88 -3.341 19.297 4.184 1.00 42.04 H new ATOM 0 HB2 GLN A 88 -2.004 19.771 6.879 1.00 4.04 H new ATOM 0 HB3 GLN A 88 -3.736 19.566 6.707 1.00 4.04 H new ATOM 0 HG2 GLN A 88 -2.834 17.421 7.332 1.00 53.31 H new ATOM 0 HG3 GLN A 88 -3.322 17.301 5.653 1.00 53.31 H new ATOM 0 HE21 GLN A 88 -1.951 15.591 5.070 1.00 42.23 H new ATOM 0 HE22 GLN A 88 -0.198 15.784 4.962 1.00 42.23 H new ATOM 1404 N GLY A 89 -4.190 21.546 3.850 1.00 10.52 N ATOM 1405 CA GLY A 89 -4.867 22.812 3.660 1.00 31.15 C ATOM 1406 C GLY A 89 -5.548 22.888 2.305 1.00 33.52 C ATOM 1407 O GLY A 89 -5.363 22.002 1.455 1.00 1.44 O ATOM 0 H GLY A 89 -4.497 20.819 3.204 1.00 10.52 H new ATOM 0 HA2 GLY A 89 -5.608 22.950 4.448 1.00 31.15 H new ATOM 0 HA3 GLY A 89 -4.148 23.626 3.752 1.00 31.15 H new ATOM 1411 N GLY A 90 -6.334 23.955 2.110 1.00 71.04 N ATOM 1412 CA GLY A 90 -7.066 24.203 0.860 1.00 44.15 C ATOM 1413 C GLY A 90 -6.206 24.873 -0.203 1.00 14.31 C ATOM 1414 O GLY A 90 -6.551 25.931 -0.729 1.00 2.55 O ATOM 0 H GLY A 90 -6.481 24.674 2.818 1.00 71.04 H new ATOM 0 HA2 GLY A 90 -7.445 23.257 0.472 1.00 44.15 H new ATOM 0 HA3 GLY A 90 -7.932 24.831 1.070 1.00 44.15 H new ATOM 1418 N LEU A 91 -5.089 24.213 -0.541 1.00 11.32 N ATOM 1419 CA LEU A 91 -4.102 24.716 -1.510 1.00 35.03 C ATOM 1420 C LEU A 91 -4.525 24.372 -2.956 1.00 24.43 C ATOM 1421 O LEU A 91 -5.642 23.881 -3.196 1.00 0.22 O ATOM 1422 CB LEU A 91 -2.702 24.114 -1.178 1.00 60.22 C ATOM 1423 CG LEU A 91 -2.150 24.403 0.255 1.00 62.42 C ATOM 1424 CD1 LEU A 91 -0.736 23.802 0.430 1.00 25.40 C ATOM 1425 CD2 LEU A 91 -2.167 25.915 0.578 1.00 61.32 C ATOM 0 H LEU A 91 -4.842 23.306 -0.146 1.00 11.32 H new ATOM 0 HA LEU A 91 -4.049 25.802 -1.436 1.00 35.03 H new ATOM 0 HB2 LEU A 91 -2.752 23.034 -1.315 1.00 60.22 H new ATOM 0 HB3 LEU A 91 -1.984 24.494 -1.905 1.00 60.22 H new ATOM 0 HG LEU A 91 -2.812 23.916 0.971 1.00 62.42 H new ATOM 0 HD11 LEU A 91 -0.372 24.015 1.435 1.00 25.40 H new ATOM 0 HD12 LEU A 91 -0.778 22.723 0.281 1.00 25.40 H new ATOM 0 HD13 LEU A 91 -0.060 24.243 -0.302 1.00 25.40 H new ATOM 0 HD21 LEU A 91 -1.776 26.077 1.583 1.00 61.32 H new ATOM 0 HD22 LEU A 91 -1.547 26.448 -0.143 1.00 61.32 H new ATOM 0 HD23 LEU A 91 -3.190 26.287 0.522 1.00 61.32 H new ATOM 1437 N VAL A 92 -3.610 24.613 -3.919 1.00 72.21 N ATOM 1438 CA VAL A 92 -3.788 24.245 -5.352 1.00 31.13 C ATOM 1439 C VAL A 92 -3.448 22.733 -5.568 1.00 34.10 C ATOM 1440 O VAL A 92 -2.840 22.309 -6.559 1.00 41.54 O ATOM 1441 CB VAL A 92 -2.915 25.210 -6.247 1.00 13.42 C ATOM 1442 CG1 VAL A 92 -1.405 25.040 -5.982 1.00 3.11 C ATOM 1443 CG2 VAL A 92 -3.257 25.089 -7.755 1.00 2.52 C ATOM 0 H VAL A 92 -2.719 25.071 -3.729 1.00 72.21 H new ATOM 0 HA VAL A 92 -4.828 24.372 -5.652 1.00 31.13 H new ATOM 0 HB VAL A 92 -3.176 26.226 -5.950 1.00 13.42 H new ATOM 0 HG11 VAL A 92 -0.844 25.724 -6.620 1.00 3.11 H new ATOM 0 HG12 VAL A 92 -1.192 25.262 -4.936 1.00 3.11 H new ATOM 0 HG13 VAL A 92 -1.110 24.014 -6.202 1.00 3.11 H new ATOM 0 HG21 VAL A 92 -2.629 25.773 -8.326 1.00 2.52 H new ATOM 0 HG22 VAL A 92 -3.077 24.067 -8.088 1.00 2.52 H new ATOM 0 HG23 VAL A 92 -4.306 25.342 -7.912 1.00 2.52 H new ATOM 1453 N LYS A 93 -3.936 21.927 -4.625 1.00 70.43 N ATOM 1454 CA LYS A 93 -3.714 20.480 -4.505 1.00 43.55 C ATOM 1455 C LYS A 93 -5.088 19.836 -4.208 1.00 42.43 C ATOM 1456 O LYS A 93 -6.017 20.558 -3.820 1.00 3.14 O ATOM 1457 CB LYS A 93 -2.729 20.186 -3.322 1.00 15.22 C ATOM 1458 CG LYS A 93 -1.302 20.759 -3.487 1.00 11.10 C ATOM 1459 CD LYS A 93 -0.412 20.471 -2.247 1.00 22.44 C ATOM 1460 CE LYS A 93 1.024 20.986 -2.427 1.00 33.52 C ATOM 1461 NZ LYS A 93 1.729 20.312 -3.559 1.00 24.31 N ATOM 0 H LYS A 93 -4.532 22.285 -3.879 1.00 70.43 H new ATOM 0 HA LYS A 93 -3.279 20.077 -5.420 1.00 43.55 H new ATOM 0 HB2 LYS A 93 -3.160 20.588 -2.405 1.00 15.22 H new ATOM 0 HB3 LYS A 93 -2.656 19.106 -3.193 1.00 15.22 H new ATOM 0 HG2 LYS A 93 -0.838 20.327 -4.374 1.00 11.10 H new ATOM 0 HG3 LYS A 93 -1.360 21.835 -3.649 1.00 11.10 H new ATOM 0 HD2 LYS A 93 -0.856 20.938 -1.368 1.00 22.44 H new ATOM 0 HD3 LYS A 93 -0.390 19.397 -2.060 1.00 22.44 H new ATOM 0 HE2 LYS A 93 1.003 22.061 -2.604 1.00 33.52 H new ATOM 0 HE3 LYS A 93 1.584 20.825 -1.506 1.00 33.52 H new ATOM 0 HZ1 LYS A 93 2.738 20.563 -3.538 1.00 24.31 H new ATOM 0 HZ2 LYS A 93 1.627 19.281 -3.467 1.00 24.31 H new ATOM 0 HZ3 LYS A 93 1.314 20.622 -4.461 1.00 24.31 H new ATOM 1475 N PRO A 94 -5.281 18.491 -4.396 1.00 74.52 N ATOM 1476 CA PRO A 94 -6.479 17.811 -3.859 1.00 60.13 C ATOM 1477 C PRO A 94 -6.387 17.738 -2.315 1.00 4.30 C ATOM 1478 O PRO A 94 -5.322 17.451 -1.763 1.00 32.40 O ATOM 1479 CB PRO A 94 -6.423 16.415 -4.514 1.00 70.21 C ATOM 1480 CG PRO A 94 -4.964 16.184 -4.729 1.00 41.44 C ATOM 1481 CD PRO A 94 -4.397 17.540 -5.131 1.00 11.41 C ATOM 0 HA PRO A 94 -7.418 18.321 -4.076 1.00 60.13 H new ATOM 0 HB2 PRO A 94 -6.858 15.652 -3.869 1.00 70.21 H new ATOM 0 HB3 PRO A 94 -6.975 16.391 -5.454 1.00 70.21 H new ATOM 0 HG2 PRO A 94 -4.487 15.811 -3.822 1.00 41.44 H new ATOM 0 HG3 PRO A 94 -4.794 15.440 -5.507 1.00 41.44 H new ATOM 0 HD2 PRO A 94 -3.353 17.647 -4.837 1.00 11.41 H new ATOM 0 HD3 PRO A 94 -4.442 17.695 -6.209 1.00 11.41 H new ATOM 1489 N GLU A 95 -7.506 18.008 -1.645 1.00 0.14 N ATOM 1490 CA GLU A 95 -7.564 18.063 -0.160 1.00 41.21 C ATOM 1491 C GLU A 95 -7.520 16.646 0.451 1.00 54.44 C ATOM 1492 O GLU A 95 -7.266 16.483 1.646 1.00 62.32 O ATOM 1493 CB GLU A 95 -8.831 18.828 0.317 1.00 30.25 C ATOM 1494 CG GLU A 95 -10.153 18.297 -0.274 1.00 34.33 C ATOM 1495 CD GLU A 95 -11.413 18.909 0.354 1.00 25.22 C ATOM 1496 OE1 GLU A 95 -11.619 20.130 0.220 1.00 75.14 O ATOM 1497 OE2 GLU A 95 -12.215 18.171 0.962 1.00 72.43 O ATOM 0 H GLU A 95 -8.400 18.196 -2.099 1.00 0.14 H new ATOM 0 HA GLU A 95 -6.686 18.607 0.188 1.00 41.21 H new ATOM 0 HB2 GLU A 95 -8.885 18.775 1.404 1.00 30.25 H new ATOM 0 HB3 GLU A 95 -8.726 19.881 0.054 1.00 30.25 H new ATOM 0 HG2 GLU A 95 -10.163 18.493 -1.346 1.00 34.33 H new ATOM 0 HG3 GLU A 95 -10.186 17.215 -0.147 1.00 34.33 H new ATOM 1504 N ARG A 96 -7.784 15.634 -0.388 1.00 2.30 N ATOM 1505 CA ARG A 96 -7.685 14.225 0.000 1.00 35.20 C ATOM 1506 C ARG A 96 -6.188 13.847 0.142 1.00 14.03 C ATOM 1507 O ARG A 96 -5.442 13.814 -0.852 1.00 55.24 O ATOM 1508 CB ARG A 96 -8.465 13.325 -1.011 1.00 53.22 C ATOM 1509 CG ARG A 96 -7.941 13.346 -2.464 1.00 62.25 C ATOM 1510 CD ARG A 96 -8.887 12.643 -3.462 1.00 52.34 C ATOM 1511 NE ARG A 96 -10.077 13.464 -3.784 1.00 42.15 N ATOM 1512 CZ ARG A 96 -11.356 13.122 -3.557 1.00 31.31 C ATOM 1513 NH1 ARG A 96 -11.670 11.966 -2.986 1.00 5.41 N ATOM 1514 NH2 ARG A 96 -12.324 13.949 -3.908 1.00 63.11 N ATOM 0 H ARG A 96 -8.073 15.773 -1.356 1.00 2.30 H new ATOM 0 HA ARG A 96 -8.156 14.057 0.969 1.00 35.20 H new ATOM 0 HB2 ARG A 96 -8.440 12.297 -0.649 1.00 53.22 H new ATOM 0 HB3 ARG A 96 -9.510 13.636 -1.016 1.00 53.22 H new ATOM 0 HG2 ARG A 96 -7.797 14.380 -2.777 1.00 62.25 H new ATOM 0 HG3 ARG A 96 -6.964 12.864 -2.498 1.00 62.25 H new ATOM 0 HD2 ARG A 96 -8.343 12.421 -4.380 1.00 52.34 H new ATOM 0 HD3 ARG A 96 -9.209 11.689 -3.044 1.00 52.34 H new ATOM 0 HE ARG A 96 -9.910 14.372 -4.218 1.00 42.15 H new ATOM 0 HH11 ARG A 96 -10.933 11.317 -2.710 1.00 5.41 H new ATOM 0 HH12 ARG A 96 -12.648 11.727 -2.823 1.00 5.41 H new ATOM 0 HH21 ARG A 96 -12.098 14.841 -4.348 1.00 63.11 H new ATOM 0 HH22 ARG A 96 -13.297 13.696 -3.739 1.00 63.11 H new ATOM 1528 N ASP A 97 -5.762 13.697 1.409 1.00 61.03 N ATOM 1529 CA ASP A 97 -4.370 13.376 1.796 1.00 32.03 C ATOM 1530 C ASP A 97 -3.753 12.247 0.943 1.00 62.43 C ATOM 1531 O ASP A 97 -4.123 11.072 1.072 1.00 50.30 O ATOM 1532 CB ASP A 97 -4.294 12.994 3.294 1.00 53.33 C ATOM 1533 CG ASP A 97 -4.725 14.124 4.249 1.00 23.41 C ATOM 1534 OD1 ASP A 97 -5.949 14.411 4.334 1.00 1.51 O ATOM 1535 OD2 ASP A 97 -3.855 14.714 4.930 1.00 23.44 O ATOM 0 H ASP A 97 -6.385 13.797 2.210 1.00 61.03 H new ATOM 0 HA ASP A 97 -3.787 14.279 1.614 1.00 32.03 H new ATOM 0 HB2 ASP A 97 -4.925 12.123 3.469 1.00 53.33 H new ATOM 0 HB3 ASP A 97 -3.272 12.700 3.533 1.00 53.33 H new ATOM 1540 N ASP A 98 -2.812 12.649 0.066 1.00 5.33 N ATOM 1541 CA ASP A 98 -2.061 11.730 -0.798 1.00 41.31 C ATOM 1542 C ASP A 98 -0.786 11.323 -0.066 1.00 15.00 C ATOM 1543 O ASP A 98 0.034 12.184 0.316 1.00 11.32 O ATOM 1544 CB ASP A 98 -1.701 12.378 -2.160 1.00 2.10 C ATOM 1545 CG ASP A 98 -0.756 11.506 -3.019 1.00 30.45 C ATOM 1546 OD1 ASP A 98 -1.236 10.605 -3.706 1.00 31.40 O ATOM 1547 OD2 ASP A 98 0.479 11.726 -3.005 1.00 0.54 O ATOM 0 H ASP A 98 -2.553 13.628 -0.060 1.00 5.33 H new ATOM 0 HA ASP A 98 -2.683 10.861 -1.011 1.00 41.31 H new ATOM 0 HB2 ASP A 98 -2.618 12.567 -2.718 1.00 2.10 H new ATOM 0 HB3 ASP A 98 -1.231 13.345 -1.982 1.00 2.10 H new ATOM 1552 N THR A 99 -0.626 10.017 0.126 1.00 53.31 N ATOM 1553 CA THR A 99 0.505 9.446 0.840 1.00 2.41 C ATOM 1554 C THR A 99 1.123 8.341 -0.015 1.00 52.24 C ATOM 1555 O THR A 99 0.481 7.331 -0.302 1.00 51.13 O ATOM 1556 CB THR A 99 0.052 8.903 2.223 1.00 75.42 C ATOM 1557 OG1 THR A 99 -0.588 9.962 2.954 1.00 55.51 O ATOM 1558 CG2 THR A 99 1.229 8.368 3.044 1.00 22.35 C ATOM 0 H THR A 99 -1.288 9.319 -0.215 1.00 53.31 H new ATOM 0 HA THR A 99 1.256 10.215 1.021 1.00 2.41 H new ATOM 0 HB THR A 99 -0.637 8.077 2.050 1.00 75.42 H new ATOM 0 HG1 THR A 99 -0.452 9.825 3.915 1.00 55.51 H new ATOM 0 HG21 THR A 99 0.866 7.999 4.003 1.00 22.35 H new ATOM 0 HG22 THR A 99 1.711 7.555 2.501 1.00 22.35 H new ATOM 0 HG23 THR A 99 1.949 9.169 3.213 1.00 22.35 H new ATOM 1566 N GLU A 100 2.375 8.552 -0.398 1.00 42.25 N ATOM 1567 CA GLU A 100 3.113 7.673 -1.287 1.00 3.54 C ATOM 1568 C GLU A 100 4.114 6.872 -0.450 1.00 51.23 C ATOM 1569 O GLU A 100 5.048 7.441 0.127 1.00 53.21 O ATOM 1570 CB GLU A 100 3.827 8.499 -2.389 1.00 61.41 C ATOM 1571 CG GLU A 100 4.697 7.661 -3.350 1.00 55.02 C ATOM 1572 CD GLU A 100 5.405 8.500 -4.429 1.00 75.43 C ATOM 1573 OE1 GLU A 100 6.151 9.433 -4.068 1.00 13.33 O ATOM 1574 OE2 GLU A 100 5.225 8.229 -5.637 1.00 64.52 O ATOM 0 H GLU A 100 2.916 9.360 -0.090 1.00 42.25 H new ATOM 0 HA GLU A 100 2.434 6.984 -1.790 1.00 3.54 H new ATOM 0 HB2 GLU A 100 3.075 9.033 -2.971 1.00 61.41 H new ATOM 0 HB3 GLU A 100 4.455 9.252 -1.912 1.00 61.41 H new ATOM 0 HG2 GLU A 100 5.447 7.121 -2.771 1.00 55.02 H new ATOM 0 HG3 GLU A 100 4.070 6.913 -3.836 1.00 55.02 H new ATOM 1581 N PHE A 101 3.884 5.559 -0.348 1.00 64.03 N ATOM 1582 CA PHE A 101 4.805 4.641 0.330 1.00 71.20 C ATOM 1583 C PHE A 101 5.694 3.992 -0.740 1.00 61.30 C ATOM 1584 O PHE A 101 5.189 3.389 -1.696 1.00 2.43 O ATOM 1585 CB PHE A 101 4.031 3.554 1.121 1.00 1.03 C ATOM 1586 CG PHE A 101 3.063 4.091 2.176 1.00 31.52 C ATOM 1587 CD1 PHE A 101 3.525 4.519 3.421 1.00 22.41 C ATOM 1588 CD2 PHE A 101 1.687 4.145 1.929 1.00 21.14 C ATOM 1589 CE1 PHE A 101 2.644 4.993 4.379 1.00 4.33 C ATOM 1590 CE2 PHE A 101 0.809 4.618 2.886 1.00 22.13 C ATOM 1591 CZ PHE A 101 1.284 5.039 4.112 1.00 50.43 C ATOM 0 H PHE A 101 3.056 5.103 -0.732 1.00 64.03 H new ATOM 0 HA PHE A 101 5.411 5.192 1.049 1.00 71.20 H new ATOM 0 HB2 PHE A 101 3.472 2.941 0.415 1.00 1.03 H new ATOM 0 HB3 PHE A 101 4.752 2.899 1.610 1.00 1.03 H new ATOM 0 HD1 PHE A 101 4.582 4.480 3.640 1.00 22.41 H new ATOM 0 HD2 PHE A 101 1.305 3.812 0.975 1.00 21.14 H new ATOM 0 HE1 PHE A 101 3.017 5.327 5.336 1.00 4.33 H new ATOM 0 HE2 PHE A 101 -0.249 4.658 2.675 1.00 22.13 H new ATOM 0 HZ PHE A 101 0.598 5.404 4.862 1.00 50.43 H new ATOM 1601 N GLN A 102 7.015 4.132 -0.575 1.00 63.11 N ATOM 1602 CA GLN A 102 8.000 3.683 -1.574 1.00 15.53 C ATOM 1603 C GLN A 102 8.984 2.686 -0.954 1.00 10.42 C ATOM 1604 O GLN A 102 9.325 2.795 0.229 1.00 64.05 O ATOM 1605 CB GLN A 102 8.751 4.907 -2.173 1.00 70.23 C ATOM 1606 CG GLN A 102 9.555 5.755 -1.160 1.00 5.23 C ATOM 1607 CD GLN A 102 10.302 6.933 -1.796 1.00 21.44 C ATOM 1608 OE1 GLN A 102 10.681 6.891 -2.967 1.00 62.43 O ATOM 1609 NE2 GLN A 102 10.568 7.968 -1.016 1.00 33.05 N ATOM 0 H GLN A 102 7.433 4.558 0.252 1.00 63.11 H new ATOM 0 HA GLN A 102 7.473 3.174 -2.381 1.00 15.53 H new ATOM 0 HB2 GLN A 102 9.433 4.551 -2.945 1.00 70.23 H new ATOM 0 HB3 GLN A 102 8.023 5.553 -2.665 1.00 70.23 H new ATOM 0 HG2 GLN A 102 8.875 6.137 -0.399 1.00 5.23 H new ATOM 0 HG3 GLN A 102 10.274 5.112 -0.652 1.00 5.23 H new ATOM 0 HE21 GLN A 102 10.241 7.976 -0.050 1.00 33.05 H new ATOM 0 HE22 GLN A 102 11.100 8.758 -1.381 1.00 33.05 H new ATOM 1618 N HIS A 103 9.425 1.710 -1.761 1.00 25.04 N ATOM 1619 CA HIS A 103 10.436 0.722 -1.352 1.00 61.53 C ATOM 1620 C HIS A 103 11.123 0.163 -2.620 1.00 14.31 C ATOM 1621 O HIS A 103 10.426 -0.225 -3.558 1.00 21.21 O ATOM 1622 CB HIS A 103 9.774 -0.423 -0.522 1.00 73.41 C ATOM 1623 CG HIS A 103 10.764 -1.308 0.173 1.00 11.14 C ATOM 1624 ND1 HIS A 103 11.076 -2.583 -0.244 1.00 22.50 N ATOM 1625 CD2 HIS A 103 11.544 -1.073 1.253 1.00 50.15 C ATOM 1626 CE1 HIS A 103 12.013 -3.076 0.546 1.00 14.40 C ATOM 1627 NE2 HIS A 103 12.306 -2.181 1.454 1.00 42.11 N ATOM 0 H HIS A 103 9.091 1.583 -2.716 1.00 25.04 H new ATOM 0 HA HIS A 103 11.184 1.197 -0.717 1.00 61.53 H new ATOM 0 HB2 HIS A 103 9.107 0.016 0.220 1.00 73.41 H new ATOM 0 HB3 HIS A 103 9.157 -1.031 -1.184 1.00 73.41 H new ATOM 0 HD2 HIS A 103 11.559 -0.171 1.847 1.00 50.15 H new ATOM 0 HE1 HIS A 103 12.462 -4.054 0.457 1.00 14.40 H new ATOM 0 HE2 HIS A 103 12.997 -2.296 2.196 1.00 42.11 H new ATOM 1636 N PRO A 104 12.498 0.087 -2.669 1.00 41.44 N ATOM 1637 CA PRO A 104 13.238 -0.329 -3.895 1.00 33.31 C ATOM 1638 C PRO A 104 12.923 -1.775 -4.334 1.00 41.14 C ATOM 1639 O PRO A 104 12.960 -2.087 -5.526 1.00 73.33 O ATOM 1640 CB PRO A 104 14.729 -0.182 -3.482 1.00 71.44 C ATOM 1641 CG PRO A 104 14.722 -0.266 -1.986 1.00 21.30 C ATOM 1642 CD PRO A 104 13.437 0.407 -1.557 1.00 34.43 C ATOM 0 HA PRO A 104 12.960 0.276 -4.758 1.00 33.31 H new ATOM 0 HB2 PRO A 104 15.340 -0.971 -3.920 1.00 71.44 H new ATOM 0 HB3 PRO A 104 15.142 0.767 -3.823 1.00 71.44 H new ATOM 0 HG2 PRO A 104 14.755 -1.302 -1.650 1.00 21.30 H new ATOM 0 HG3 PRO A 104 15.591 0.236 -1.559 1.00 21.30 H new ATOM 0 HD2 PRO A 104 13.079 0.020 -0.603 1.00 34.43 H new ATOM 0 HD3 PRO A 104 13.567 1.483 -1.436 1.00 34.43 H new ATOM 1650 N CYS A 105 12.597 -2.645 -3.358 1.00 3.42 N ATOM 1651 CA CYS A 105 12.295 -4.069 -3.626 1.00 55.22 C ATOM 1652 C CYS A 105 10.795 -4.282 -3.915 1.00 73.32 C ATOM 1653 O CYS A 105 10.373 -5.397 -4.218 1.00 41.03 O ATOM 1654 CB CYS A 105 12.757 -4.950 -2.449 1.00 23.13 C ATOM 1655 SG CYS A 105 14.504 -4.741 -2.028 1.00 72.25 S ATOM 0 H CYS A 105 12.535 -2.387 -2.373 1.00 3.42 H new ATOM 0 HA CYS A 105 12.847 -4.366 -4.518 1.00 55.22 H new ATOM 0 HB2 CYS A 105 12.151 -4.718 -1.573 1.00 23.13 H new ATOM 0 HB3 CYS A 105 12.574 -5.996 -2.696 1.00 23.13 H new ATOM 0 HG CYS A 105 14.805 -5.516 -1.029 1.00 72.25 H new ATOM 1661 N PHE A 106 9.998 -3.209 -3.829 1.00 35.02 N ATOM 1662 CA PHE A 106 8.571 -3.255 -4.184 1.00 3.35 C ATOM 1663 C PHE A 106 8.438 -2.624 -5.561 1.00 13.22 C ATOM 1664 O PHE A 106 8.476 -1.403 -5.673 1.00 65.44 O ATOM 1665 CB PHE A 106 7.708 -2.482 -3.144 1.00 24.14 C ATOM 1666 CG PHE A 106 6.189 -2.547 -3.382 1.00 1.44 C ATOM 1667 CD1 PHE A 106 5.421 -3.578 -2.833 1.00 4.31 C ATOM 1668 CD2 PHE A 106 5.528 -1.570 -4.134 1.00 75.30 C ATOM 1669 CE1 PHE A 106 4.053 -3.636 -3.033 1.00 10.42 C ATOM 1670 CE2 PHE A 106 4.161 -1.630 -4.338 1.00 61.13 C ATOM 1671 CZ PHE A 106 3.424 -2.659 -3.784 1.00 51.25 C ATOM 0 H PHE A 106 10.318 -2.293 -3.515 1.00 35.02 H new ATOM 0 HA PHE A 106 8.213 -4.284 -4.188 1.00 3.35 H new ATOM 0 HB2 PHE A 106 7.922 -2.877 -2.151 1.00 24.14 H new ATOM 0 HB3 PHE A 106 8.016 -1.436 -3.144 1.00 24.14 H new ATOM 0 HD1 PHE A 106 5.904 -4.343 -2.242 1.00 4.31 H new ATOM 0 HD2 PHE A 106 6.094 -0.756 -4.562 1.00 75.30 H new ATOM 0 HE1 PHE A 106 3.477 -4.443 -2.604 1.00 10.42 H new ATOM 0 HE2 PHE A 106 3.670 -0.872 -4.930 1.00 61.13 H new ATOM 0 HZ PHE A 106 2.356 -2.701 -3.937 1.00 51.25 H new ATOM 1681 N LEU A 107 8.349 -3.448 -6.610 1.00 34.31 N ATOM 1682 CA LEU A 107 8.221 -2.958 -7.993 1.00 55.40 C ATOM 1683 C LEU A 107 6.926 -3.480 -8.636 1.00 70.22 C ATOM 1684 O LEU A 107 6.297 -4.424 -8.130 1.00 1.24 O ATOM 1685 CB LEU A 107 9.459 -3.396 -8.826 1.00 73.25 C ATOM 1686 CG LEU A 107 10.860 -2.969 -8.279 1.00 31.03 C ATOM 1687 CD1 LEU A 107 11.992 -3.495 -9.179 1.00 71.25 C ATOM 1688 CD2 LEU A 107 10.963 -1.444 -8.107 1.00 72.22 C ATOM 0 H LEU A 107 8.363 -4.465 -6.530 1.00 34.31 H new ATOM 0 HA LEU A 107 8.175 -1.869 -7.976 1.00 55.40 H new ATOM 0 HB2 LEU A 107 9.444 -4.482 -8.912 1.00 73.25 H new ATOM 0 HB3 LEU A 107 9.350 -2.995 -9.834 1.00 73.25 H new ATOM 0 HG LEU A 107 10.972 -3.420 -7.293 1.00 31.03 H new ATOM 0 HD11 LEU A 107 12.954 -3.182 -8.774 1.00 71.25 H new ATOM 0 HD12 LEU A 107 11.951 -4.584 -9.217 1.00 71.25 H new ATOM 0 HD13 LEU A 107 11.874 -3.092 -10.185 1.00 71.25 H new ATOM 0 HD21 LEU A 107 11.951 -1.187 -7.725 1.00 72.22 H new ATOM 0 HD22 LEU A 107 10.808 -0.958 -9.070 1.00 72.22 H new ATOM 0 HD23 LEU A 107 10.203 -1.105 -7.403 1.00 72.22 H new ATOM 1700 N ARG A 108 6.543 -2.853 -9.763 1.00 34.11 N ATOM 1701 CA ARG A 108 5.357 -3.245 -10.540 1.00 1.03 C ATOM 1702 C ARG A 108 5.707 -4.433 -11.443 1.00 43.11 C ATOM 1703 O ARG A 108 6.631 -4.337 -12.264 1.00 23.12 O ATOM 1704 CB ARG A 108 4.860 -2.049 -11.388 1.00 5.21 C ATOM 1705 CG ARG A 108 3.537 -2.294 -12.139 1.00 5.13 C ATOM 1706 CD ARG A 108 3.113 -1.092 -12.994 1.00 73.31 C ATOM 1707 NE ARG A 108 1.814 -1.323 -13.652 1.00 11.13 N ATOM 1708 CZ ARG A 108 1.470 -0.853 -14.865 1.00 53.33 C ATOM 1709 NH1 ARG A 108 2.328 -0.114 -15.579 1.00 30.15 N ATOM 1710 NH2 ARG A 108 0.262 -1.109 -15.353 1.00 70.45 N ATOM 0 H ARG A 108 7.048 -2.060 -10.159 1.00 34.11 H new ATOM 0 HA ARG A 108 4.559 -3.540 -9.859 1.00 1.03 H new ATOM 0 HB2 ARG A 108 4.736 -1.185 -10.735 1.00 5.21 H new ATOM 0 HB3 ARG A 108 5.631 -1.791 -12.114 1.00 5.21 H new ATOM 0 HG2 ARG A 108 3.643 -3.171 -12.778 1.00 5.13 H new ATOM 0 HG3 ARG A 108 2.750 -2.518 -11.418 1.00 5.13 H new ATOM 0 HD2 ARG A 108 3.050 -0.203 -12.367 1.00 73.31 H new ATOM 0 HD3 ARG A 108 3.874 -0.896 -13.749 1.00 73.31 H new ATOM 0 HE ARG A 108 1.124 -1.881 -13.150 1.00 11.13 H new ATOM 0 HH11 ARG A 108 3.253 0.098 -15.205 1.00 30.15 H new ATOM 0 HH12 ARG A 108 2.057 0.237 -16.497 1.00 30.15 H new ATOM 0 HH21 ARG A 108 -0.402 -1.660 -14.809 1.00 70.45 H new ATOM 0 HH22 ARG A 108 -0.002 -0.754 -16.272 1.00 70.45 H new ATOM 1724 N GLY A 109 4.956 -5.535 -11.278 1.00 43.11 N ATOM 1725 CA GLY A 109 5.200 -6.777 -12.010 1.00 51.10 C ATOM 1726 C GLY A 109 6.551 -7.380 -11.671 1.00 61.23 C ATOM 1727 O GLY A 109 7.387 -7.592 -12.555 1.00 64.13 O ATOM 0 H GLY A 109 4.166 -5.584 -10.634 1.00 43.11 H new ATOM 0 HA2 GLY A 109 4.414 -7.495 -11.778 1.00 51.10 H new ATOM 0 HA3 GLY A 109 5.148 -6.583 -13.081 1.00 51.10 H new ATOM 1731 N GLN A 110 6.764 -7.657 -10.374 1.00 12.32 N ATOM 1732 CA GLN A 110 8.071 -8.097 -9.863 1.00 2.20 C ATOM 1733 C GLN A 110 7.873 -8.885 -8.545 1.00 74.51 C ATOM 1734 O GLN A 110 8.315 -8.473 -7.462 1.00 61.32 O ATOM 1735 CB GLN A 110 8.982 -6.853 -9.682 1.00 13.04 C ATOM 1736 CG GLN A 110 10.496 -7.129 -9.588 1.00 63.23 C ATOM 1737 CD GLN A 110 11.169 -7.522 -10.913 1.00 51.53 C ATOM 1738 OE1 GLN A 110 10.564 -8.134 -11.798 1.00 22.43 O ATOM 1739 NE2 GLN A 110 12.445 -7.179 -11.058 1.00 4.41 N ATOM 0 H GLN A 110 6.042 -7.583 -9.657 1.00 12.32 H new ATOM 0 HA GLN A 110 8.560 -8.769 -10.568 1.00 2.20 H new ATOM 0 HB2 GLN A 110 8.808 -6.176 -10.518 1.00 13.04 H new ATOM 0 HB3 GLN A 110 8.672 -6.329 -8.778 1.00 13.04 H new ATOM 0 HG2 GLN A 110 10.989 -6.238 -9.198 1.00 63.23 H new ATOM 0 HG3 GLN A 110 10.660 -7.927 -8.864 1.00 63.23 H new ATOM 0 HE21 GLN A 110 12.925 -6.673 -10.313 1.00 4.41 H new ATOM 0 HE22 GLN A 110 12.944 -7.421 -11.914 1.00 4.41 H new ATOM 1748 N GLU A 111 7.175 -10.019 -8.694 1.00 22.10 N ATOM 1749 CA GLU A 111 6.823 -10.966 -7.607 1.00 34.23 C ATOM 1750 C GLU A 111 8.062 -11.382 -6.802 1.00 61.01 C ATOM 1751 O GLU A 111 8.063 -11.369 -5.566 1.00 65.10 O ATOM 1752 CB GLU A 111 6.162 -12.258 -8.190 1.00 4.43 C ATOM 1753 CG GLU A 111 4.855 -12.058 -8.989 1.00 24.12 C ATOM 1754 CD GLU A 111 5.046 -11.403 -10.369 1.00 63.54 C ATOM 1755 OE1 GLU A 111 5.497 -12.095 -11.305 1.00 11.24 O ATOM 1756 OE2 GLU A 111 4.779 -10.185 -10.522 1.00 22.04 O ATOM 0 H GLU A 111 6.824 -10.320 -9.603 1.00 22.10 H new ATOM 0 HA GLU A 111 6.122 -10.449 -6.952 1.00 34.23 H new ATOM 0 HB2 GLU A 111 6.887 -12.751 -8.838 1.00 4.43 H new ATOM 0 HB3 GLU A 111 5.957 -12.940 -7.365 1.00 4.43 H new ATOM 0 HG2 GLU A 111 4.374 -13.027 -9.124 1.00 24.12 H new ATOM 0 HG3 GLU A 111 4.174 -11.444 -8.400 1.00 24.12 H new ATOM 1763 N GLN A 112 9.121 -11.721 -7.546 1.00 22.31 N ATOM 1764 CA GLN A 112 10.361 -12.269 -6.982 1.00 72.34 C ATOM 1765 C GLN A 112 11.111 -11.258 -6.089 1.00 11.41 C ATOM 1766 O GLN A 112 11.965 -11.667 -5.317 1.00 53.14 O ATOM 1767 CB GLN A 112 11.312 -12.823 -8.095 1.00 5.32 C ATOM 1768 CG GLN A 112 12.159 -11.785 -8.879 1.00 11.11 C ATOM 1769 CD GLN A 112 11.426 -11.028 -9.992 1.00 52.24 C ATOM 1770 OE1 GLN A 112 10.214 -10.829 -9.956 1.00 64.04 O ATOM 1771 NE2 GLN A 112 12.177 -10.587 -11.002 1.00 44.22 N ATOM 0 H GLN A 112 9.143 -11.623 -8.561 1.00 22.31 H new ATOM 0 HA GLN A 112 10.054 -13.099 -6.346 1.00 72.34 H new ATOM 0 HB2 GLN A 112 11.994 -13.537 -7.633 1.00 5.32 H new ATOM 0 HB3 GLN A 112 10.707 -13.378 -8.812 1.00 5.32 H new ATOM 0 HG2 GLN A 112 12.554 -11.057 -8.170 1.00 11.11 H new ATOM 0 HG3 GLN A 112 13.014 -12.299 -9.318 1.00 11.11 H new ATOM 0 HE21 GLN A 112 13.181 -10.766 -11.007 1.00 44.22 H new ATOM 0 HE22 GLN A 112 11.747 -10.071 -11.769 1.00 44.22 H new ATOM 1780 N LEU A 113 10.840 -9.939 -6.215 1.00 3.12 N ATOM 1781 CA LEU A 113 11.483 -8.917 -5.346 1.00 41.24 C ATOM 1782 C LEU A 113 10.589 -8.540 -4.155 1.00 73.21 C ATOM 1783 O LEU A 113 11.092 -8.016 -3.152 1.00 71.20 O ATOM 1784 CB LEU A 113 11.932 -7.657 -6.149 1.00 63.12 C ATOM 1785 CG LEU A 113 13.167 -7.852 -7.098 1.00 2.13 C ATOM 1786 CD1 LEU A 113 13.636 -6.507 -7.707 1.00 25.24 C ATOM 1787 CD2 LEU A 113 14.330 -8.552 -6.365 1.00 74.33 C ATOM 0 H LEU A 113 10.189 -9.557 -6.901 1.00 3.12 H new ATOM 0 HA LEU A 113 12.387 -9.373 -4.943 1.00 41.24 H new ATOM 0 HB2 LEU A 113 11.089 -7.313 -6.748 1.00 63.12 H new ATOM 0 HB3 LEU A 113 12.165 -6.862 -5.440 1.00 63.12 H new ATOM 0 HG LEU A 113 12.845 -8.495 -7.917 1.00 2.13 H new ATOM 0 HD11 LEU A 113 14.492 -6.681 -8.358 1.00 25.24 H new ATOM 0 HD12 LEU A 113 12.824 -6.067 -8.286 1.00 25.24 H new ATOM 0 HD13 LEU A 113 13.922 -5.825 -6.906 1.00 25.24 H new ATOM 0 HD21 LEU A 113 15.171 -8.673 -7.048 1.00 74.33 H new ATOM 0 HD22 LEU A 113 14.639 -7.947 -5.513 1.00 74.33 H new ATOM 0 HD23 LEU A 113 14.003 -9.531 -6.015 1.00 74.33 H new ATOM 1799 N LEU A 114 9.274 -8.812 -4.263 1.00 63.41 N ATOM 1800 CA LEU A 114 8.315 -8.585 -3.155 1.00 13.03 C ATOM 1801 C LEU A 114 8.656 -9.498 -1.951 1.00 52.31 C ATOM 1802 O LEU A 114 8.469 -9.122 -0.793 1.00 24.11 O ATOM 1803 CB LEU A 114 6.859 -8.836 -3.632 1.00 41.11 C ATOM 1804 CG LEU A 114 6.362 -7.989 -4.845 1.00 33.43 C ATOM 1805 CD1 LEU A 114 4.938 -8.413 -5.269 1.00 42.31 C ATOM 1806 CD2 LEU A 114 6.432 -6.479 -4.543 1.00 52.20 C ATOM 0 H LEU A 114 8.847 -9.191 -5.108 1.00 63.41 H new ATOM 0 HA LEU A 114 8.397 -7.546 -2.836 1.00 13.03 H new ATOM 0 HB2 LEU A 114 6.763 -9.890 -3.891 1.00 41.11 H new ATOM 0 HB3 LEU A 114 6.189 -8.652 -2.792 1.00 41.11 H new ATOM 0 HG LEU A 114 7.031 -8.184 -5.683 1.00 33.43 H new ATOM 0 HD11 LEU A 114 4.615 -7.808 -6.116 1.00 42.31 H new ATOM 0 HD12 LEU A 114 4.942 -9.465 -5.555 1.00 42.31 H new ATOM 0 HD13 LEU A 114 4.251 -8.266 -4.435 1.00 42.31 H new ATOM 0 HD21 LEU A 114 6.079 -5.918 -5.408 1.00 52.20 H new ATOM 0 HD22 LEU A 114 5.804 -6.251 -3.682 1.00 52.20 H new ATOM 0 HD23 LEU A 114 7.463 -6.199 -4.325 1.00 52.20 H new ATOM 1818 N GLU A 115 9.182 -10.695 -2.262 1.00 12.21 N ATOM 1819 CA GLU A 115 9.667 -11.654 -1.243 1.00 50.05 C ATOM 1820 C GLU A 115 11.067 -11.293 -0.709 1.00 64.04 C ATOM 1821 O GLU A 115 11.559 -11.940 0.208 1.00 2.14 O ATOM 1822 CB GLU A 115 9.680 -13.085 -1.817 1.00 64.52 C ATOM 1823 CG GLU A 115 10.624 -13.292 -3.013 1.00 1.42 C ATOM 1824 CD GLU A 115 10.838 -14.769 -3.358 1.00 21.51 C ATOM 1825 OE1 GLU A 115 11.756 -15.391 -2.785 1.00 61.14 O ATOM 1826 OE2 GLU A 115 10.083 -15.322 -4.176 1.00 22.31 O ATOM 0 H GLU A 115 9.285 -11.028 -3.221 1.00 12.21 H new ATOM 0 HA GLU A 115 8.974 -11.600 -0.403 1.00 50.05 H new ATOM 0 HB2 GLU A 115 9.964 -13.777 -1.024 1.00 64.52 H new ATOM 0 HB3 GLU A 115 8.667 -13.348 -2.122 1.00 64.52 H new ATOM 0 HG2 GLU A 115 10.217 -12.777 -3.883 1.00 1.42 H new ATOM 0 HG3 GLU A 115 11.588 -12.833 -2.792 1.00 1.42 H new ATOM 1833 N ASN A 116 11.705 -10.267 -1.284 1.00 31.05 N ATOM 1834 CA ASN A 116 12.985 -9.732 -0.757 1.00 45.02 C ATOM 1835 C ASN A 116 12.711 -8.616 0.261 1.00 70.32 C ATOM 1836 O ASN A 116 13.643 -8.013 0.787 1.00 40.50 O ATOM 1837 CB ASN A 116 13.904 -9.224 -1.904 1.00 51.42 C ATOM 1838 CG ASN A 116 14.602 -10.364 -2.647 1.00 74.11 C ATOM 1839 OD1 ASN A 116 13.934 -10.943 -3.614 1.00 63.51 O flip ATOM 1840 ND2 ASN A 116 15.725 -10.735 -2.326 1.00 22.21 N flip ATOM 0 H ASN A 116 11.363 -9.784 -2.115 1.00 31.05 H new ATOM 0 HA ASN A 116 13.512 -10.543 -0.254 1.00 45.02 H new ATOM 0 HB2 ASN A 116 13.310 -8.645 -2.611 1.00 51.42 H new ATOM 0 HB3 ASN A 116 14.655 -8.550 -1.491 1.00 51.42 H new ATOM 0 HD21 ASN A 116 16.221 -10.264 -1.569 1.00 22.21 H new ATOM 0 HD22 ASN A 116 16.164 -11.514 -2.816 1.00 22.21 H new ATOM 1847 N ILE A 117 11.421 -8.363 0.537 1.00 62.02 N ATOM 1848 CA ILE A 117 10.983 -7.411 1.569 1.00 12.13 C ATOM 1849 C ILE A 117 10.667 -8.182 2.859 1.00 34.11 C ATOM 1850 O ILE A 117 9.902 -9.164 2.828 1.00 71.33 O ATOM 1851 CB ILE A 117 9.707 -6.607 1.121 1.00 64.25 C ATOM 1852 CG1 ILE A 117 9.910 -5.971 -0.280 1.00 14.24 C ATOM 1853 CG2 ILE A 117 9.339 -5.526 2.157 1.00 44.42 C ATOM 1854 CD1 ILE A 117 8.697 -5.237 -0.825 1.00 34.35 C ATOM 0 H ILE A 117 10.649 -8.816 0.047 1.00 62.02 H new ATOM 0 HA ILE A 117 11.789 -6.696 1.733 1.00 12.13 H new ATOM 0 HB ILE A 117 8.879 -7.313 1.058 1.00 64.25 H new ATOM 0 HG12 ILE A 117 10.747 -5.275 -0.230 1.00 14.24 H new ATOM 0 HG13 ILE A 117 10.189 -6.756 -0.983 1.00 14.24 H new ATOM 0 HG21 ILE A 117 8.454 -4.986 1.821 1.00 44.42 H new ATOM 0 HG22 ILE A 117 9.133 -5.998 3.118 1.00 44.42 H new ATOM 0 HG23 ILE A 117 10.169 -4.828 2.266 1.00 44.42 H new ATOM 0 HD11 ILE A 117 8.931 -4.826 -1.807 1.00 34.35 H new ATOM 0 HD12 ILE A 117 7.861 -5.931 -0.912 1.00 34.35 H new ATOM 0 HD13 ILE A 117 8.427 -4.427 -0.147 1.00 34.35 H new ATOM 1866 N LYS A 118 11.257 -7.747 3.982 1.00 4.34 N ATOM 1867 CA LYS A 118 11.055 -8.373 5.299 1.00 65.45 C ATOM 1868 C LYS A 118 10.284 -7.420 6.221 1.00 15.12 C ATOM 1869 O LYS A 118 10.443 -6.208 6.117 1.00 15.52 O ATOM 1870 CB LYS A 118 12.432 -8.711 5.947 1.00 34.03 C ATOM 1871 CG LYS A 118 13.355 -9.675 5.153 1.00 40.10 C ATOM 1872 CD LYS A 118 12.927 -11.171 5.186 1.00 30.44 C ATOM 1873 CE LYS A 118 11.792 -11.523 4.208 1.00 11.53 C ATOM 1874 NZ LYS A 118 12.130 -11.183 2.796 1.00 10.34 N ATOM 0 H LYS A 118 11.890 -6.948 4.003 1.00 4.34 H new ATOM 0 HA LYS A 118 10.482 -9.291 5.164 1.00 65.45 H new ATOM 0 HB2 LYS A 118 12.971 -7.778 6.108 1.00 34.03 H new ATOM 0 HB3 LYS A 118 12.249 -9.146 6.929 1.00 34.03 H new ATOM 0 HG2 LYS A 118 13.392 -9.346 4.115 1.00 40.10 H new ATOM 0 HG3 LYS A 118 14.367 -9.593 5.549 1.00 40.10 H new ATOM 0 HD2 LYS A 118 13.794 -11.791 4.957 1.00 30.44 H new ATOM 0 HD3 LYS A 118 12.612 -11.425 6.198 1.00 30.44 H new ATOM 0 HE2 LYS A 118 11.572 -12.588 4.279 1.00 11.53 H new ATOM 0 HE3 LYS A 118 10.887 -10.991 4.500 1.00 11.53 H new ATOM 0 HZ1 LYS A 118 11.549 -10.379 2.484 1.00 10.34 H new ATOM 0 HZ2 LYS A 118 13.136 -10.929 2.731 1.00 10.34 H new ATOM 0 HZ3 LYS A 118 11.940 -12.004 2.186 1.00 10.34 H new ATOM 1888 N ARG A 119 9.514 -7.992 7.163 1.00 73.35 N ATOM 1889 CA ARG A 119 8.854 -7.248 8.264 1.00 33.00 C ATOM 1890 C ARG A 119 9.846 -7.022 9.433 1.00 62.32 C ATOM 1891 O ARG A 119 9.457 -6.956 10.601 1.00 71.02 O ATOM 1892 CB ARG A 119 7.604 -8.038 8.740 1.00 53.51 C ATOM 1893 CG ARG A 119 7.894 -9.508 9.111 1.00 10.15 C ATOM 1894 CD ARG A 119 6.663 -10.287 9.596 1.00 15.22 C ATOM 1895 NE ARG A 119 6.914 -11.744 9.572 1.00 61.14 N ATOM 1896 CZ ARG A 119 6.540 -12.633 10.505 1.00 51.53 C ATOM 1897 NH1 ARG A 119 5.890 -12.247 11.607 1.00 61.25 N ATOM 1898 NH2 ARG A 119 6.784 -13.915 10.292 1.00 63.41 N ATOM 0 H ARG A 119 9.327 -8.994 7.187 1.00 73.35 H new ATOM 0 HA ARG A 119 8.537 -6.270 7.903 1.00 33.00 H new ATOM 0 HB2 ARG A 119 7.176 -7.533 9.606 1.00 53.51 H new ATOM 0 HB3 ARG A 119 6.851 -8.015 7.953 1.00 53.51 H new ATOM 0 HG2 ARG A 119 8.312 -10.015 8.241 1.00 10.15 H new ATOM 0 HG3 ARG A 119 8.656 -9.531 9.890 1.00 10.15 H new ATOM 0 HD2 ARG A 119 6.407 -9.975 10.609 1.00 15.22 H new ATOM 0 HD3 ARG A 119 5.807 -10.051 8.964 1.00 15.22 H new ATOM 0 HE ARG A 119 7.422 -12.110 8.766 1.00 61.14 H new ATOM 0 HH11 ARG A 119 5.670 -11.261 11.750 1.00 61.25 H new ATOM 0 HH12 ARG A 119 5.614 -12.938 12.305 1.00 61.25 H new ATOM 0 HH21 ARG A 119 7.247 -14.210 9.433 1.00 63.41 H new ATOM 0 HH22 ARG A 119 6.509 -14.609 10.987 1.00 63.41 H new ATOM 1912 N LYS A 120 11.127 -6.842 9.086 1.00 52.22 N ATOM 1913 CA LYS A 120 12.234 -6.700 10.038 1.00 44.23 C ATOM 1914 C LYS A 120 13.055 -5.450 9.675 1.00 34.31 C ATOM 1915 O LYS A 120 13.042 -5.002 8.521 1.00 2.44 O ATOM 1916 CB LYS A 120 13.138 -7.973 10.031 1.00 64.11 C ATOM 1917 CG LYS A 120 12.389 -9.284 10.372 1.00 52.54 C ATOM 1918 CD LYS A 120 13.324 -10.518 10.446 1.00 2.35 C ATOM 1919 CE LYS A 120 14.111 -10.772 9.141 1.00 31.23 C ATOM 1920 NZ LYS A 120 14.929 -12.023 9.226 1.00 41.32 N ATOM 0 H LYS A 120 11.428 -6.790 8.113 1.00 52.22 H new ATOM 0 HA LYS A 120 11.829 -6.587 11.044 1.00 44.23 H new ATOM 0 HB2 LYS A 120 13.596 -8.075 9.047 1.00 64.11 H new ATOM 0 HB3 LYS A 120 13.948 -7.834 10.747 1.00 64.11 H new ATOM 0 HG2 LYS A 120 11.878 -9.165 11.327 1.00 52.54 H new ATOM 0 HG3 LYS A 120 11.621 -9.463 9.620 1.00 52.54 H new ATOM 0 HD2 LYS A 120 14.029 -10.381 11.266 1.00 2.35 H new ATOM 0 HD3 LYS A 120 12.730 -11.401 10.681 1.00 2.35 H new ATOM 0 HE2 LYS A 120 13.416 -10.847 8.305 1.00 31.23 H new ATOM 0 HE3 LYS A 120 14.764 -9.923 8.938 1.00 31.23 H new ATOM 0 HZ1 LYS A 120 15.444 -12.162 8.333 1.00 41.32 H new ATOM 0 HZ2 LYS A 120 15.609 -11.941 10.009 1.00 41.32 H new ATOM 0 HZ3 LYS A 120 14.303 -12.836 9.395 1.00 41.32 H new ATOM 1934 N VAL A 121 13.814 -4.936 10.654 1.00 51.12 N ATOM 1935 CA VAL A 121 14.564 -3.668 10.529 1.00 30.41 C ATOM 1936 C VAL A 121 15.778 -3.758 9.565 1.00 63.22 C ATOM 1937 O VAL A 121 16.508 -2.775 9.397 1.00 61.24 O ATOM 1938 CB VAL A 121 15.034 -3.169 11.942 1.00 73.45 C ATOM 1939 CG1 VAL A 121 13.822 -2.873 12.857 1.00 14.25 C ATOM 1940 CG2 VAL A 121 15.999 -4.188 12.597 1.00 60.24 C ATOM 0 H VAL A 121 13.928 -5.387 11.561 1.00 51.12 H new ATOM 0 HA VAL A 121 13.873 -2.948 10.091 1.00 30.41 H new ATOM 0 HB VAL A 121 15.581 -2.236 11.806 1.00 73.45 H new ATOM 0 HG11 VAL A 121 14.175 -2.529 13.829 1.00 14.25 H new ATOM 0 HG12 VAL A 121 13.203 -2.100 12.402 1.00 14.25 H new ATOM 0 HG13 VAL A 121 13.233 -3.781 12.986 1.00 14.25 H new ATOM 0 HG21 VAL A 121 16.310 -3.819 13.574 1.00 60.24 H new ATOM 0 HG22 VAL A 121 15.492 -5.145 12.715 1.00 60.24 H new ATOM 0 HG23 VAL A 121 16.876 -4.318 11.963 1.00 60.24 H new ATOM 1950 N THR A 122 16.007 -4.941 8.967 1.00 75.34 N ATOM 1951 CA THR A 122 16.951 -5.097 7.831 1.00 11.03 C ATOM 1952 C THR A 122 16.440 -4.296 6.612 1.00 51.02 C ATOM 1953 O THR A 122 17.226 -3.765 5.828 1.00 1.31 O ATOM 1954 CB THR A 122 17.173 -6.607 7.456 1.00 70.22 C ATOM 1955 OG1 THR A 122 18.132 -6.734 6.392 1.00 22.54 O ATOM 1956 CG2 THR A 122 15.868 -7.302 7.050 1.00 73.14 C ATOM 0 H THR A 122 15.552 -5.810 9.249 1.00 75.34 H new ATOM 0 HA THR A 122 17.919 -4.701 8.139 1.00 11.03 H new ATOM 0 HB THR A 122 17.554 -7.097 8.352 1.00 70.22 H new ATOM 0 HG1 THR A 122 18.257 -7.682 6.175 1.00 22.54 H new ATOM 0 HG21 THR A 122 16.073 -8.343 6.800 1.00 73.14 H new ATOM 0 HG22 THR A 122 15.161 -7.260 7.878 1.00 73.14 H new ATOM 0 HG23 THR A 122 15.442 -6.798 6.183 1.00 73.14 H new ATOM 1964 N SER A 123 15.106 -4.212 6.491 1.00 30.11 N ATOM 1965 CA SER A 123 14.421 -3.333 5.548 1.00 54.54 C ATOM 1966 C SER A 123 14.008 -2.057 6.317 1.00 2.31 C ATOM 1967 O SER A 123 13.005 -2.050 7.046 1.00 61.12 O ATOM 1968 CB SER A 123 13.206 -4.090 4.959 1.00 60.52 C ATOM 1969 OG SER A 123 12.539 -3.341 3.955 1.00 73.12 O ATOM 0 H SER A 123 14.466 -4.767 7.060 1.00 30.11 H new ATOM 0 HA SER A 123 15.059 -3.042 4.713 1.00 54.54 H new ATOM 0 HB2 SER A 123 13.541 -5.039 4.539 1.00 60.52 H new ATOM 0 HB3 SER A 123 12.505 -4.325 5.760 1.00 60.52 H new ATOM 0 HG SER A 123 11.571 -3.396 4.095 1.00 73.12 H new ATOM 1975 N VAL A 124 14.838 -1.000 6.194 1.00 22.42 N ATOM 1976 CA VAL A 124 14.695 0.243 6.979 1.00 34.11 C ATOM 1977 C VAL A 124 13.706 1.225 6.328 1.00 64.13 C ATOM 1978 O VAL A 124 13.405 1.134 5.133 1.00 13.22 O ATOM 1979 CB VAL A 124 16.087 0.960 7.178 1.00 51.14 C ATOM 1980 CG1 VAL A 124 17.088 0.038 7.906 1.00 34.34 C ATOM 1981 CG2 VAL A 124 16.673 1.455 5.835 1.00 70.35 C ATOM 0 H VAL A 124 15.626 -0.985 5.547 1.00 22.42 H new ATOM 0 HA VAL A 124 14.301 -0.052 7.952 1.00 34.11 H new ATOM 0 HB VAL A 124 15.913 1.835 7.804 1.00 51.14 H new ATOM 0 HG11 VAL A 124 18.038 0.558 8.029 1.00 34.34 H new ATOM 0 HG12 VAL A 124 16.691 -0.229 8.885 1.00 34.34 H new ATOM 0 HG13 VAL A 124 17.243 -0.867 7.318 1.00 34.34 H new ATOM 0 HG21 VAL A 124 17.631 1.943 6.014 1.00 70.35 H new ATOM 0 HG22 VAL A 124 16.817 0.607 5.166 1.00 70.35 H new ATOM 0 HG23 VAL A 124 15.984 2.165 5.377 1.00 70.35 H new ATOM 1991 N SER A 125 13.212 2.159 7.147 1.00 32.50 N ATOM 1992 CA SER A 125 12.371 3.284 6.714 1.00 51.21 C ATOM 1993 C SER A 125 12.643 4.504 7.636 1.00 12.32 C ATOM 1994 O SER A 125 12.057 4.596 8.735 1.00 30.22 O ATOM 1995 CB SER A 125 10.876 2.867 6.703 1.00 30.10 C ATOM 1996 OG SER A 125 10.527 2.110 7.857 1.00 13.21 O ATOM 1997 OXT SER A 125 13.491 5.352 7.278 1.00 38.04 O ATOM 0 H SER A 125 13.388 2.156 8.152 1.00 32.50 H new ATOM 0 HA SER A 125 12.621 3.572 5.693 1.00 51.21 H new ATOM 0 HB2 SER A 125 10.251 3.758 6.651 1.00 30.10 H new ATOM 0 HB3 SER A 125 10.669 2.280 5.808 1.00 30.10 H new ATOM 0 HG SER A 125 10.197 1.229 7.583 1.00 13.21 H new TER 2003 SER A 125