USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1592 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 78 SER OG : rot -110:sc= -3.17 USER MOD Set 1.2: B 74 MET CE :methyl 173:sc= -1.78 (180deg=-2.46) USER MOD Set 2.1: B 57 MET CE :methyl -110:sc= -2.65 (180deg=-7.11!) USER MOD Set 2.2: B 68 CYS SG : rot -103:sc= 1.37 USER MOD Set 3.1: B 41 SER OG : rot 180:sc= -0.119 USER MOD Set 3.2: B 42 HIS : no HD1:sc= -0.712 X(o=-0.83,f=-0.34) USER MOD Set 4.1: B 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0954) USER MOD Set 4.2: B 37 ASN : amide:sc= -5.05! C(o=-5.1!,f=-6.9!) USER MOD Set 5.1: A 81 THR OG1 : rot 109:sc= 0.714 USER MOD Set 5.2: B 7 MET CE :methyl 165:sc= -0.605 (180deg=-0.725) USER MOD Set 6.1: A 74 MET CE :methyl 171:sc= -1.53 (180deg=-2.29) USER MOD Set 6.2: B 78 SER OG : rot -110:sc= -3.1! USER MOD Set 7.1: A 57 MET CE :methyl -111:sc= -2.71 (180deg=-7.24!) USER MOD Set 7.2: A 68 CYS SG : rot -102:sc= 1.43 USER MOD Set 8.1: A 41 SER OG : rot 180:sc= -0.152 USER MOD Set 8.2: A 42 HIS : no HD1:sc= -0.71 X(o=-0.86,f=-0.46) USER MOD Set 9.1: A 33 LYS NZ :NH3+ -167:sc=-0.000204 (180deg=-0.136) USER MOD Set 9.2: A 37 ASN : amide:sc= -5.2! C(o=-5.2!,f=-7.1!) USER MOD Set10.1: A 7 MET CE :methyl 164:sc= -0.559 (180deg=-0.658) USER MOD Set10.2: B 81 THR OG1 : rot 106:sc= 0.817 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -174:sc= 0 (180deg=-0.0787) USER MOD Single : A 1 SER OG : rot -32:sc= 1.11 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 16 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.11) USER MOD Single : A 17 TYR OH : rot 30:sc= -1.27 USER MOD Single : A 18 SER OG : rot -154:sc= -0.0939 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0997) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.651 USER MOD Single : A 38 ASN : amide:sc= -2.36! K(o=-2.4!,f=-0.0085) USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= -1.54 (180deg=-2.79!) USER MOD Single : A 50 GLN : amide:sc= -0.63 K(o=-0.63,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= -0.026 (180deg=-0.38) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 79 MET CE :methyl 155:sc= -0.499 (180deg=-2.32) USER MOD Single : A 82 THR OG1 : rot -6:sc= 1.09 USER MOD Single : A 84 CYS SG : rot 148:sc= 0.371 USER MOD Single : A 85 HIS : no HD1:sc= -2.96! C(o=-3!,f=-5.4!) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -177:sc= 0 (180deg=-0.0185) USER MOD Single : B 1 SER OG : rot -30:sc= 1.07 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : B 16 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.2) USER MOD Single : B 17 TYR OH : rot 30:sc= -1.3 USER MOD Single : B 18 SER OG : rot -155:sc= -0.0679 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.022) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= -0.636 USER MOD Single : B 38 ASN : amide:sc= -2.51! K(o=-2.5!,f=-0.023) USER MOD Single : B 48 LYS NZ :NH3+ -128:sc= -1.41 (180deg=-2.59!) USER MOD Single : B 50 GLN : amide:sc= -0.592 K(o=-0.59,f=-0.083) USER MOD Single : B 55 LYS NZ :NH3+ 160:sc= -0.0313 (180deg=-0.431) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : B 79 MET CE :methyl 153:sc= -0.517 (180deg=-2.45) USER MOD Single : B 82 THR OG1 : rot -11:sc= 1.29 USER MOD Single : B 84 CYS SG : rot 150:sc= 0.414 USER MOD Single : B 85 HIS : no HD1:sc= -2.83! C(o=-2.8!,f=-4.8!) USER MOD Single : X 105 HIS : no HD1:sc= -2.95 K(o=-2.9,f=-4.4!) USER MOD Single : X 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 111 LYS NZ :NH3+ -169:sc= -3.73! (180deg=-4.63!) USER MOD Single : X 112 THR OG1 : rot -22:sc= -0.267 USER MOD Single : Y 105 HIS : no HD1:sc= -3.15 K(o=-3.1,f=-4.9!) USER MOD Single : Y 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 109 MET CE :methyl 180:sc= -0.0356 (180deg=-0.0356) USER MOD Single : Y 111 LYS NZ :NH3+ -155:sc= -3.97! (180deg=-5.05!) USER MOD Single : Y 112 THR OG1 : rot -25:sc= -0.298 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 2.761 -2.560 -13.441 1.00 0.00 N ATOM 2 CA MET A 0 2.541 -2.589 -14.916 1.00 0.00 C ATOM 3 C MET A 0 1.226 -1.884 -15.255 1.00 0.00 C ATOM 4 O MET A 0 0.158 -2.334 -14.894 1.00 0.00 O ATOM 5 CB MET A 0 2.472 -4.038 -15.399 1.00 0.00 C ATOM 6 CG MET A 0 2.417 -4.061 -16.928 1.00 0.00 C ATOM 7 SD MET A 0 2.335 -5.774 -17.507 1.00 0.00 S ATOM 8 CE MET A 0 1.995 -5.410 -19.247 1.00 0.00 C ATOM 0 H1 MET A 0 3.701 -2.948 -13.222 1.00 0.00 H new ATOM 0 H2 MET A 0 2.704 -1.579 -13.101 1.00 0.00 H new ATOM 0 H3 MET A 0 2.032 -3.133 -12.970 1.00 0.00 H new ATOM 0 HA MET A 0 3.368 -2.078 -15.409 1.00 0.00 H new ATOM 0 HB2 MET A 0 3.342 -4.592 -15.047 1.00 0.00 H new ATOM 0 HB3 MET A 0 1.592 -4.530 -14.985 1.00 0.00 H new ATOM 0 HG2 MET A 0 1.547 -3.506 -17.279 1.00 0.00 H new ATOM 0 HG3 MET A 0 3.297 -3.569 -17.341 1.00 0.00 H new ATOM 0 HE1 MET A 0 1.904 -6.343 -19.803 1.00 0.00 H new ATOM 0 HE2 MET A 0 1.064 -4.848 -19.326 1.00 0.00 H new ATOM 0 HE3 MET A 0 2.812 -4.819 -19.661 1.00 0.00 H new ATOM 20 N SER A 1 1.296 -0.785 -15.953 1.00 0.00 N ATOM 21 CA SER A 1 0.047 -0.052 -16.322 1.00 0.00 C ATOM 22 C SER A 1 -0.827 0.156 -15.081 1.00 0.00 C ATOM 23 O SER A 1 -1.974 0.548 -15.175 1.00 0.00 O ATOM 24 CB SER A 1 -0.726 -0.862 -17.363 1.00 0.00 C ATOM 25 OG SER A 1 -1.915 -0.165 -17.714 1.00 0.00 O ATOM 0 H SER A 1 2.162 -0.361 -16.285 1.00 0.00 H new ATOM 0 HA SER A 1 0.311 0.921 -16.736 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.110 -1.021 -18.248 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.972 -1.846 -16.965 1.00 0.00 H new ATOM 0 HG SER A 1 -2.242 0.336 -16.938 1.00 0.00 H new ATOM 31 N GLU A 2 -0.284 -0.076 -13.920 1.00 0.00 N ATOM 32 CA GLU A 2 -1.064 0.133 -12.667 1.00 0.00 C ATOM 33 C GLU A 2 -1.218 1.626 -12.435 1.00 0.00 C ATOM 34 O GLU A 2 -1.766 2.059 -11.447 1.00 0.00 O ATOM 35 CB GLU A 2 -0.321 -0.483 -11.488 1.00 0.00 C ATOM 36 CG GLU A 2 -0.369 -1.997 -11.620 1.00 0.00 C ATOM 37 CD GLU A 2 0.372 -2.636 -10.445 1.00 0.00 C ATOM 38 OE1 GLU A 2 1.011 -1.905 -9.705 1.00 0.00 O ATOM 39 OE2 GLU A 2 0.286 -3.844 -10.301 1.00 0.00 O ATOM 0 H GLU A 2 0.672 -0.403 -13.783 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.042 -0.339 -12.759 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.713 -0.138 -11.470 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.777 -0.171 -10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.404 -2.338 -11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.086 -2.305 -12.561 1.00 0.00 H new ATOM 46 N LEU A 3 -0.708 2.409 -13.338 1.00 0.00 N ATOM 47 CA LEU A 3 -0.773 3.888 -13.190 1.00 0.00 C ATOM 48 C LEU A 3 -2.157 4.316 -12.702 1.00 0.00 C ATOM 49 O LEU A 3 -2.300 5.339 -12.069 1.00 0.00 O ATOM 50 CB LEU A 3 -0.478 4.541 -14.544 1.00 0.00 C ATOM 51 CG LEU A 3 -0.466 6.070 -14.414 1.00 0.00 C ATOM 52 CD1 LEU A 3 0.651 6.509 -13.448 1.00 0.00 C ATOM 53 CD2 LEU A 3 -0.223 6.678 -15.800 1.00 0.00 C ATOM 0 H LEU A 3 -0.242 2.084 -14.185 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.033 4.206 -12.456 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.485 4.195 -14.919 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.231 4.238 -15.272 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.422 6.414 -14.019 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.652 7.596 -13.362 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.478 6.068 -12.467 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.615 6.175 -13.831 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.212 7.765 -15.723 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.736 6.332 -16.186 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.020 6.370 -16.477 1.00 0.00 H new ATOM 65 N GLU A 4 -3.173 3.553 -12.973 1.00 0.00 N ATOM 66 CA GLU A 4 -4.527 3.950 -12.486 1.00 0.00 C ATOM 67 C GLU A 4 -4.561 3.793 -10.966 1.00 0.00 C ATOM 68 O GLU A 4 -5.122 4.599 -10.252 1.00 0.00 O ATOM 69 CB GLU A 4 -5.590 3.052 -13.122 1.00 0.00 C ATOM 70 CG GLU A 4 -5.379 1.607 -12.666 1.00 0.00 C ATOM 71 CD GLU A 4 -6.227 0.671 -13.529 1.00 0.00 C ATOM 72 OE1 GLU A 4 -7.424 0.607 -13.301 1.00 0.00 O ATOM 73 OE2 GLU A 4 -5.664 0.034 -14.404 1.00 0.00 O ATOM 0 H GLU A 4 -3.132 2.682 -13.503 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.733 4.985 -12.759 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.586 3.392 -12.838 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.530 3.114 -14.209 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.326 1.339 -12.747 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.655 1.501 -11.617 1.00 0.00 H new ATOM 80 N LYS A 5 -3.950 2.756 -10.478 1.00 0.00 N ATOM 81 CA LYS A 5 -3.911 2.506 -9.010 1.00 0.00 C ATOM 82 C LYS A 5 -3.014 3.546 -8.325 1.00 0.00 C ATOM 83 O LYS A 5 -3.299 3.998 -7.237 1.00 0.00 O ATOM 84 CB LYS A 5 -3.385 1.072 -8.781 1.00 0.00 C ATOM 85 CG LYS A 5 -2.829 0.890 -7.346 1.00 0.00 C ATOM 86 CD LYS A 5 -1.301 1.138 -7.333 1.00 0.00 C ATOM 87 CE LYS A 5 -0.541 -0.163 -7.627 1.00 0.00 C ATOM 88 NZ LYS A 5 -0.359 -0.927 -6.362 1.00 0.00 N ATOM 0 H LYS A 5 -3.467 2.057 -11.042 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.907 2.598 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.189 0.357 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.602 0.851 -9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.324 1.583 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.045 -0.117 -6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.043 1.892 -8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.999 1.531 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.092 -0.763 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.429 0.062 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.156 -1.809 -6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.184 -0.354 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.289 -1.153 -5.956 1.00 0.00 H new ATOM 102 N ALA A 6 -1.920 3.901 -8.938 1.00 0.00 N ATOM 103 CA ALA A 6 -0.992 4.881 -8.310 1.00 0.00 C ATOM 104 C ALA A 6 -1.632 6.262 -8.233 1.00 0.00 C ATOM 105 O ALA A 6 -1.477 6.964 -7.261 1.00 0.00 O ATOM 106 CB ALA A 6 0.301 4.950 -9.126 1.00 0.00 C ATOM 0 H ALA A 6 -1.628 3.553 -9.851 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.769 4.552 -7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.982 5.667 -8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.770 3.966 -9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.072 5.266 -10.144 1.00 0.00 H new ATOM 112 N MET A 7 -2.337 6.662 -9.244 1.00 0.00 N ATOM 113 CA MET A 7 -2.979 8.003 -9.210 1.00 0.00 C ATOM 114 C MET A 7 -4.082 8.022 -8.160 1.00 0.00 C ATOM 115 O MET A 7 -4.271 8.996 -7.460 1.00 0.00 O ATOM 116 CB MET A 7 -3.571 8.341 -10.582 1.00 0.00 C ATOM 117 CG MET A 7 -2.444 8.596 -11.587 1.00 0.00 C ATOM 118 SD MET A 7 -3.157 9.081 -13.180 1.00 0.00 S ATOM 119 CE MET A 7 -1.641 9.721 -13.936 1.00 0.00 C ATOM 0 H MET A 7 -2.499 6.122 -10.094 1.00 0.00 H new ATOM 0 HA MET A 7 -2.224 8.747 -8.955 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.200 7.521 -10.928 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.208 9.222 -10.506 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.783 9.380 -11.218 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.838 7.698 -11.706 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.782 9.813 -15.013 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.410 10.700 -13.516 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.817 9.036 -13.735 1.00 0.00 H new ATOM 129 N VAL A 8 -4.821 6.963 -8.054 1.00 0.00 N ATOM 130 CA VAL A 8 -5.926 6.932 -7.057 1.00 0.00 C ATOM 131 C VAL A 8 -5.359 7.030 -5.639 1.00 0.00 C ATOM 132 O VAL A 8 -5.923 7.675 -4.781 1.00 0.00 O ATOM 133 CB VAL A 8 -6.720 5.632 -7.197 1.00 0.00 C ATOM 134 CG1 VAL A 8 -7.758 5.547 -6.072 1.00 0.00 C ATOM 135 CG2 VAL A 8 -7.433 5.606 -8.555 1.00 0.00 C ATOM 0 H VAL A 8 -4.712 6.116 -8.612 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.585 7.781 -7.240 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.040 4.783 -7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.325 4.621 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.251 5.562 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.437 6.397 -6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.998 4.679 -8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.114 6.454 -8.625 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.695 5.666 -9.355 1.00 0.00 H new ATOM 145 N ALA A 9 -4.267 6.369 -5.380 1.00 0.00 N ATOM 146 CA ALA A 9 -3.680 6.398 -4.005 1.00 0.00 C ATOM 147 C ALA A 9 -3.056 7.758 -3.727 1.00 0.00 C ATOM 148 O ALA A 9 -3.100 8.265 -2.624 1.00 0.00 O ATOM 149 CB ALA A 9 -2.614 5.316 -3.883 1.00 0.00 C ATOM 0 H ALA A 9 -3.752 5.808 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.473 6.217 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.187 5.338 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.064 4.340 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.828 5.495 -4.617 1.00 0.00 H new ATOM 155 N LEU A 10 -2.471 8.348 -4.719 1.00 0.00 N ATOM 156 CA LEU A 10 -1.835 9.671 -4.530 1.00 0.00 C ATOM 157 C LEU A 10 -2.921 10.644 -4.074 1.00 0.00 C ATOM 158 O LEU A 10 -2.722 11.476 -3.211 1.00 0.00 O ATOM 159 CB LEU A 10 -1.246 10.118 -5.881 1.00 0.00 C ATOM 160 CG LEU A 10 -0.021 11.042 -5.666 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.271 10.215 -5.723 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.022 12.117 -6.760 1.00 0.00 C ATOM 0 H LEU A 10 -2.405 7.967 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.038 9.636 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.951 9.244 -6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.007 10.643 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.108 11.519 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.129 10.870 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.252 9.455 -4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.351 9.732 -6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.886 12.763 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.100 11.639 -7.737 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.889 12.714 -6.720 1.00 0.00 H new ATOM 174 N ILE A 11 -4.075 10.518 -4.657 1.00 0.00 N ATOM 175 CA ILE A 11 -5.219 11.389 -4.298 1.00 0.00 C ATOM 176 C ILE A 11 -5.715 11.056 -2.882 1.00 0.00 C ATOM 177 O ILE A 11 -6.119 11.927 -2.142 1.00 0.00 O ATOM 178 CB ILE A 11 -6.337 11.179 -5.330 1.00 0.00 C ATOM 179 CG1 ILE A 11 -5.889 11.784 -6.671 1.00 0.00 C ATOM 180 CG2 ILE A 11 -7.621 11.861 -4.859 1.00 0.00 C ATOM 181 CD1 ILE A 11 -6.877 11.434 -7.796 1.00 0.00 C ATOM 0 H ILE A 11 -4.277 9.832 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.910 12.434 -4.306 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.532 10.113 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.810 12.867 -6.576 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.896 11.413 -6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.407 11.706 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.931 11.435 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.442 12.929 -4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.534 11.875 -8.732 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.935 10.351 -7.905 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.863 11.827 -7.549 1.00 0.00 H new ATOM 193 N ASP A 12 -5.718 9.802 -2.511 1.00 0.00 N ATOM 194 CA ASP A 12 -6.220 9.420 -1.154 1.00 0.00 C ATOM 195 C ASP A 12 -5.398 10.101 -0.048 1.00 0.00 C ATOM 196 O ASP A 12 -5.939 10.566 0.935 1.00 0.00 O ATOM 197 CB ASP A 12 -6.111 7.899 -0.995 1.00 0.00 C ATOM 198 CG ASP A 12 -6.621 7.473 0.388 1.00 0.00 C ATOM 199 OD1 ASP A 12 -6.794 8.335 1.232 1.00 0.00 O ATOM 200 OD2 ASP A 12 -6.828 6.285 0.576 1.00 0.00 O ATOM 0 H ASP A 12 -5.395 9.025 -3.088 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.257 9.744 -1.062 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.690 7.402 -1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.074 7.586 -1.121 1.00 0.00 H new ATOM 205 N VAL A 13 -4.101 10.134 -0.178 1.00 0.00 N ATOM 206 CA VAL A 13 -3.259 10.754 0.896 1.00 0.00 C ATOM 207 C VAL A 13 -3.498 12.277 0.967 1.00 0.00 C ATOM 208 O VAL A 13 -3.607 12.852 2.041 1.00 0.00 O ATOM 209 CB VAL A 13 -1.759 10.414 0.607 1.00 0.00 C ATOM 210 CG1 VAL A 13 -0.895 11.680 0.451 1.00 0.00 C ATOM 211 CG2 VAL A 13 -1.173 9.557 1.745 1.00 0.00 C ATOM 0 H VAL A 13 -3.585 9.762 -0.975 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.534 10.349 1.870 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.739 9.862 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.138 11.393 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.272 12.278 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.938 12.265 1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.129 9.329 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.237 10.106 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.737 8.628 1.829 1.00 0.00 H new ATOM 221 N PHE A 14 -3.565 12.934 -0.153 1.00 0.00 N ATOM 222 CA PHE A 14 -3.772 14.408 -0.128 1.00 0.00 C ATOM 223 C PHE A 14 -5.088 14.719 0.570 1.00 0.00 C ATOM 224 O PHE A 14 -5.187 15.658 1.316 1.00 0.00 O ATOM 225 CB PHE A 14 -3.821 14.949 -1.561 1.00 0.00 C ATOM 226 CG PHE A 14 -4.032 16.448 -1.541 1.00 0.00 C ATOM 227 CD1 PHE A 14 -5.330 16.977 -1.519 1.00 0.00 C ATOM 228 CD2 PHE A 14 -2.928 17.309 -1.556 1.00 0.00 C ATOM 229 CE1 PHE A 14 -5.521 18.365 -1.510 1.00 0.00 C ATOM 230 CE2 PHE A 14 -3.120 18.695 -1.547 1.00 0.00 C ATOM 231 CZ PHE A 14 -4.416 19.223 -1.524 1.00 0.00 C ATOM 0 H PHE A 14 -3.486 12.519 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.948 14.879 0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.893 14.711 -2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.628 14.467 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.183 16.315 -1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.927 16.903 -1.575 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.521 18.772 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.267 19.358 -1.558 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.563 20.293 -1.517 1.00 0.00 H new ATOM 241 N HIS A 15 -6.096 13.940 0.322 1.00 0.00 N ATOM 242 CA HIS A 15 -7.418 14.180 0.964 1.00 0.00 C ATOM 243 C HIS A 15 -7.312 14.108 2.488 1.00 0.00 C ATOM 244 O HIS A 15 -7.993 14.824 3.195 1.00 0.00 O ATOM 245 CB HIS A 15 -8.424 13.141 0.470 1.00 0.00 C ATOM 246 CG HIS A 15 -9.752 13.375 1.136 1.00 0.00 C ATOM 247 ND1 HIS A 15 -10.446 14.572 1.015 1.00 0.00 N ATOM 248 CD2 HIS A 15 -10.523 12.575 1.943 1.00 0.00 C ATOM 249 CE1 HIS A 15 -11.579 14.458 1.733 1.00 0.00 C ATOM 250 NE2 HIS A 15 -11.672 13.261 2.316 1.00 0.00 N ATOM 0 H HIS A 15 -6.063 13.136 -0.305 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.755 15.180 0.691 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.531 13.208 -0.613 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.065 12.136 0.693 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.274 11.567 2.242 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -12.320 15.238 1.826 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -12.428 12.921 2.911 1.00 0.00 H new ATOM 259 N GLN A 16 -6.498 13.235 3.007 1.00 0.00 N ATOM 260 CA GLN A 16 -6.400 13.113 4.487 1.00 0.00 C ATOM 261 C GLN A 16 -5.951 14.437 5.116 1.00 0.00 C ATOM 262 O GLN A 16 -6.430 14.812 6.168 1.00 0.00 O ATOM 263 CB GLN A 16 -5.391 12.016 4.840 1.00 0.00 C ATOM 264 CG GLN A 16 -5.968 10.646 4.471 1.00 0.00 C ATOM 265 CD GLN A 16 -7.115 10.301 5.422 1.00 0.00 C ATOM 266 OE1 GLN A 16 -8.211 10.003 4.990 1.00 0.00 O ATOM 267 NE2 GLN A 16 -6.907 10.325 6.712 1.00 0.00 N ATOM 0 H GLN A 16 -5.899 12.604 2.475 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.384 12.858 4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.456 12.183 4.306 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.160 12.049 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.326 10.656 3.441 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.191 9.884 4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.987 10.575 7.076 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.664 10.094 7.355 1.00 0.00 H new ATOM 276 N TYR A 17 -5.027 15.143 4.513 1.00 0.00 N ATOM 277 CA TYR A 17 -4.554 16.432 5.135 1.00 0.00 C ATOM 278 C TYR A 17 -5.350 17.642 4.626 1.00 0.00 C ATOM 279 O TYR A 17 -5.450 18.647 5.300 1.00 0.00 O ATOM 280 CB TYR A 17 -3.069 16.628 4.816 1.00 0.00 C ATOM 281 CG TYR A 17 -2.262 15.725 5.710 1.00 0.00 C ATOM 282 CD1 TYR A 17 -2.184 14.363 5.423 1.00 0.00 C ATOM 283 CD2 TYR A 17 -1.620 16.245 6.840 1.00 0.00 C ATOM 284 CE1 TYR A 17 -1.459 13.515 6.258 1.00 0.00 C ATOM 285 CE2 TYR A 17 -0.895 15.398 7.682 1.00 0.00 C ATOM 286 CZ TYR A 17 -0.814 14.028 7.391 1.00 0.00 C ATOM 287 OH TYR A 17 -0.102 13.184 8.220 1.00 0.00 O ATOM 0 H TYR A 17 -4.582 14.893 3.630 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.709 16.363 6.212 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.873 16.397 3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.783 17.668 4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.686 13.965 4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.685 17.300 7.061 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.394 12.461 6.031 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.398 15.797 8.554 1.00 0.00 H new ATOM 0 HH TYR A 17 0.259 12.439 7.696 1.00 0.00 H new ATOM 297 N SER A 18 -5.896 17.572 3.453 1.00 0.00 N ATOM 298 CA SER A 18 -6.658 18.737 2.924 1.00 0.00 C ATOM 299 C SER A 18 -7.831 19.041 3.856 1.00 0.00 C ATOM 300 O SER A 18 -8.137 20.183 4.138 1.00 0.00 O ATOM 301 CB SER A 18 -7.174 18.415 1.520 1.00 0.00 C ATOM 302 OG SER A 18 -7.519 19.625 0.859 1.00 0.00 O ATOM 0 H SER A 18 -5.851 16.762 2.834 1.00 0.00 H new ATOM 0 HA SER A 18 -6.007 19.609 2.872 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.411 17.882 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.043 17.759 1.580 1.00 0.00 H new ATOM 0 HG SER A 18 -8.206 19.445 0.184 1.00 0.00 H new ATOM 308 N GLY A 19 -8.486 18.024 4.339 1.00 0.00 N ATOM 309 CA GLY A 19 -9.642 18.238 5.260 1.00 0.00 C ATOM 310 C GLY A 19 -9.139 18.434 6.694 1.00 0.00 C ATOM 311 O GLY A 19 -9.805 18.070 7.643 1.00 0.00 O ATOM 0 H GLY A 19 -8.271 17.048 4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.213 19.111 4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.316 17.383 5.216 1.00 0.00 H new ATOM 315 N ARG A 20 -7.970 18.991 6.868 1.00 0.00 N ATOM 316 CA ARG A 20 -7.449 19.181 8.255 1.00 0.00 C ATOM 317 C ARG A 20 -8.329 20.179 9.013 1.00 0.00 C ATOM 318 O ARG A 20 -8.921 19.854 10.023 1.00 0.00 O ATOM 319 CB ARG A 20 -5.999 19.721 8.175 1.00 0.00 C ATOM 320 CG ARG A 20 -4.989 18.595 8.433 1.00 0.00 C ATOM 321 CD ARG A 20 -4.875 18.341 9.937 1.00 0.00 C ATOM 322 NE ARG A 20 -3.759 17.391 10.203 1.00 0.00 N ATOM 323 CZ ARG A 20 -3.281 17.268 11.411 1.00 0.00 C ATOM 324 NH1 ARG A 20 -3.763 17.997 12.380 1.00 0.00 N ATOM 325 NH2 ARG A 20 -2.320 16.418 11.650 1.00 0.00 N ATOM 0 H ARG A 20 -7.359 19.319 6.120 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.463 18.228 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.822 20.158 7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.860 20.516 8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.306 17.685 7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.015 18.866 8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.699 19.280 10.462 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.811 17.933 10.319 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.368 16.837 9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.513 18.663 12.193 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.390 17.901 13.324 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.942 15.849 10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.947 16.322 12.594 1.00 0.00 H new ATOM 339 N GLU A 21 -8.417 21.386 8.528 1.00 0.00 N ATOM 340 CA GLU A 21 -9.258 22.424 9.205 1.00 0.00 C ATOM 341 C GLU A 21 -10.513 22.667 8.372 1.00 0.00 C ATOM 342 O GLU A 21 -11.478 23.239 8.839 1.00 0.00 O ATOM 343 CB GLU A 21 -8.465 23.728 9.324 1.00 0.00 C ATOM 344 CG GLU A 21 -9.240 24.714 10.201 1.00 0.00 C ATOM 345 CD GLU A 21 -8.394 25.967 10.431 1.00 0.00 C ATOM 346 OE1 GLU A 21 -7.262 25.984 9.978 1.00 0.00 O ATOM 347 OE2 GLU A 21 -8.893 26.888 11.056 1.00 0.00 O ATOM 0 H GLU A 21 -7.940 21.705 7.685 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.536 22.080 10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.484 23.532 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.298 24.157 8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.182 24.981 9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.489 24.250 11.155 1.00 0.00 H new ATOM 354 N GLY A 22 -10.508 22.224 7.140 1.00 0.00 N ATOM 355 CA GLY A 22 -11.698 22.411 6.253 1.00 0.00 C ATOM 356 C GLY A 22 -11.252 22.975 4.903 1.00 0.00 C ATOM 357 O GLY A 22 -12.059 23.194 4.022 1.00 0.00 O ATOM 0 H GLY A 22 -9.724 21.737 6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.209 21.459 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.411 23.088 6.723 1.00 0.00 H new ATOM 361 N ASP A 23 -9.978 23.208 4.719 1.00 0.00 N ATOM 362 CA ASP A 23 -9.513 23.747 3.417 1.00 0.00 C ATOM 363 C ASP A 23 -9.384 22.585 2.428 1.00 0.00 C ATOM 364 O ASP A 23 -8.303 22.215 2.023 1.00 0.00 O ATOM 365 CB ASP A 23 -8.156 24.418 3.619 1.00 0.00 C ATOM 366 CG ASP A 23 -8.330 25.681 4.466 1.00 0.00 C ATOM 367 OD1 ASP A 23 -9.424 26.220 4.473 1.00 0.00 O ATOM 368 OD2 ASP A 23 -7.365 26.087 5.092 1.00 0.00 O ATOM 0 H ASP A 23 -9.247 23.048 5.412 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.220 24.479 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.468 23.730 4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.717 24.672 2.654 1.00 0.00 H new ATOM 373 N LYS A 24 -10.486 21.992 2.058 1.00 0.00 N ATOM 374 CA LYS A 24 -10.440 20.840 1.112 1.00 0.00 C ATOM 375 C LYS A 24 -10.041 21.318 -0.292 1.00 0.00 C ATOM 376 O LYS A 24 -9.306 20.655 -0.999 1.00 0.00 O ATOM 377 CB LYS A 24 -11.827 20.190 1.046 1.00 0.00 C ATOM 378 CG LYS A 24 -12.131 19.504 2.380 1.00 0.00 C ATOM 379 CD LYS A 24 -13.502 18.815 2.316 1.00 0.00 C ATOM 380 CE LYS A 24 -14.628 19.858 2.246 1.00 0.00 C ATOM 381 NZ LYS A 24 -15.894 19.250 2.749 1.00 0.00 N ATOM 0 H LYS A 24 -11.420 22.257 2.371 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.702 20.119 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.584 20.944 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.862 19.463 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.357 18.771 2.606 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.121 20.238 3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.547 18.164 1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.639 18.183 3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.368 20.732 2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.758 20.201 1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.659 19.953 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.143 18.429 2.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.764 18.943 3.734 1.00 0.00 H new ATOM 395 N HIS A 25 -10.545 22.449 -0.711 1.00 0.00 N ATOM 396 CA HIS A 25 -10.229 22.960 -2.081 1.00 0.00 C ATOM 397 C HIS A 25 -8.859 23.649 -2.123 1.00 0.00 C ATOM 398 O HIS A 25 -8.330 23.914 -3.184 1.00 0.00 O ATOM 399 CB HIS A 25 -11.304 23.961 -2.499 1.00 0.00 C ATOM 400 CG HIS A 25 -12.623 23.251 -2.615 1.00 0.00 C ATOM 401 ND1 HIS A 25 -13.582 23.302 -1.613 1.00 0.00 N ATOM 402 CD2 HIS A 25 -13.155 22.464 -3.606 1.00 0.00 C ATOM 403 CE1 HIS A 25 -14.633 22.567 -2.021 1.00 0.00 C ATOM 404 NE2 HIS A 25 -14.422 22.036 -3.227 1.00 0.00 N ATOM 0 H HIS A 25 -11.165 23.045 -0.162 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.204 22.111 -2.765 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.374 24.765 -1.766 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.040 24.420 -3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -12.665 22.216 -4.536 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -15.535 22.425 -1.444 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -15.057 21.441 -3.759 1.00 0.00 H new ATOM 413 N LYS A 26 -8.286 23.961 -0.992 1.00 0.00 N ATOM 414 CA LYS A 26 -6.956 24.654 -0.987 1.00 0.00 C ATOM 415 C LYS A 26 -6.110 24.128 0.171 1.00 0.00 C ATOM 416 O LYS A 26 -6.608 23.499 1.075 1.00 0.00 O ATOM 417 CB LYS A 26 -7.179 26.165 -0.851 1.00 0.00 C ATOM 418 CG LYS A 26 -7.917 26.472 0.456 1.00 0.00 C ATOM 419 CD LYS A 26 -8.550 27.865 0.379 1.00 0.00 C ATOM 420 CE LYS A 26 -9.077 28.262 1.759 1.00 0.00 C ATOM 421 NZ LYS A 26 -9.874 29.515 1.644 1.00 0.00 N ATOM 0 H LYS A 26 -8.677 23.768 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.427 24.456 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.221 26.685 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.756 26.533 -1.699 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.687 25.722 0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.224 26.423 1.296 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.814 28.592 0.036 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.363 27.867 -0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.694 27.462 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.246 28.409 2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.233 29.786 2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.272 30.276 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.675 29.359 0.999 1.00 0.00 H new ATOM 435 N LEU A 27 -4.822 24.348 0.130 1.00 0.00 N ATOM 436 CA LEU A 27 -3.926 23.836 1.215 1.00 0.00 C ATOM 437 C LEU A 27 -3.000 24.969 1.668 1.00 0.00 C ATOM 438 O LEU A 27 -2.187 25.443 0.907 1.00 0.00 O ATOM 439 CB LEU A 27 -3.100 22.682 0.633 1.00 0.00 C ATOM 440 CG LEU A 27 -2.445 21.859 1.754 1.00 0.00 C ATOM 441 CD1 LEU A 27 -3.454 20.864 2.349 1.00 0.00 C ATOM 442 CD2 LEU A 27 -1.259 21.080 1.178 1.00 0.00 C ATOM 0 H LEU A 27 -4.347 24.863 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.503 23.487 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.741 22.038 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.331 23.078 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.108 22.537 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.974 20.289 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.304 21.409 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.801 20.187 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.790 20.494 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.610 20.412 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.532 21.778 0.764 1.00 0.00 H new ATOM 454 N LYS A 28 -3.112 25.419 2.893 1.00 0.00 N ATOM 455 CA LYS A 28 -2.234 26.536 3.347 1.00 0.00 C ATOM 456 C LYS A 28 -0.852 26.012 3.710 1.00 0.00 C ATOM 457 O LYS A 28 -0.686 24.864 4.073 1.00 0.00 O ATOM 458 CB LYS A 28 -2.839 27.194 4.589 1.00 0.00 C ATOM 459 CG LYS A 28 -4.207 27.778 4.250 1.00 0.00 C ATOM 460 CD LYS A 28 -4.805 28.434 5.499 1.00 0.00 C ATOM 461 CE LYS A 28 -6.176 29.021 5.163 1.00 0.00 C ATOM 462 NZ LYS A 28 -5.996 30.264 4.362 1.00 0.00 N ATOM 0 H LYS A 28 -3.767 25.065 3.590 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.151 27.258 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.935 26.461 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.178 27.980 4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.113 28.512 3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.870 26.993 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.899 27.699 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.142 29.218 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.767 28.296 4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.725 29.241 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.901 30.774 4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.285 30.871 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.676 30.016 3.404 1.00 0.00 H new ATOM 476 N LYS A 29 0.141 26.862 3.650 1.00 0.00 N ATOM 477 CA LYS A 29 1.511 26.432 4.029 1.00 0.00 C ATOM 478 C LYS A 29 1.420 25.725 5.376 1.00 0.00 C ATOM 479 O LYS A 29 2.276 24.954 5.760 1.00 0.00 O ATOM 480 CB LYS A 29 2.423 27.665 4.158 1.00 0.00 C ATOM 481 CG LYS A 29 2.034 28.505 5.382 1.00 0.00 C ATOM 482 CD LYS A 29 2.843 29.803 5.376 1.00 0.00 C ATOM 483 CE LYS A 29 2.648 30.526 6.710 1.00 0.00 C ATOM 484 NZ LYS A 29 3.526 31.728 6.759 1.00 0.00 N ATOM 0 H LYS A 29 0.058 27.835 3.354 1.00 0.00 H new ATOM 0 HA LYS A 29 1.925 25.766 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.462 27.347 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.350 28.273 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.967 28.727 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.226 27.946 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.899 29.586 5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.522 30.441 4.553 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.605 30.820 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.885 29.856 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.393 32.219 7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.520 31.436 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.280 32.370 5.979 1.00 0.00 H new ATOM 498 N SER A 30 0.372 26.014 6.094 1.00 0.00 N ATOM 499 CA SER A 30 0.185 25.396 7.436 1.00 0.00 C ATOM 500 C SER A 30 -0.276 23.949 7.280 1.00 0.00 C ATOM 501 O SER A 30 0.289 23.046 7.864 1.00 0.00 O ATOM 502 CB SER A 30 -0.861 26.187 8.218 1.00 0.00 C ATOM 503 OG SER A 30 -2.130 26.027 7.599 1.00 0.00 O ATOM 0 H SER A 30 -0.368 26.655 5.808 1.00 0.00 H new ATOM 0 HA SER A 30 1.132 25.412 7.976 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.900 25.839 9.250 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.589 27.242 8.248 1.00 0.00 H new ATOM 0 HG SER A 30 -2.804 26.532 8.100 1.00 0.00 H new ATOM 509 N GLU A 31 -1.283 23.709 6.486 1.00 0.00 N ATOM 510 CA GLU A 31 -1.738 22.307 6.299 1.00 0.00 C ATOM 511 C GLU A 31 -0.659 21.562 5.516 1.00 0.00 C ATOM 512 O GLU A 31 -0.459 20.378 5.684 1.00 0.00 O ATOM 513 CB GLU A 31 -3.065 22.279 5.541 1.00 0.00 C ATOM 514 CG GLU A 31 -4.173 22.825 6.445 1.00 0.00 C ATOM 515 CD GLU A 31 -5.489 22.879 5.669 1.00 0.00 C ATOM 516 OE1 GLU A 31 -5.483 22.517 4.505 1.00 0.00 O ATOM 517 OE2 GLU A 31 -6.481 23.283 6.252 1.00 0.00 O ATOM 0 H GLU A 31 -1.804 24.415 5.965 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.896 21.828 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.992 22.878 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.300 21.260 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.284 22.191 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.908 23.821 6.801 1.00 0.00 H new ATOM 524 N LEU A 32 0.050 22.263 4.675 1.00 0.00 N ATOM 525 CA LEU A 32 1.140 21.624 3.887 1.00 0.00 C ATOM 526 C LEU A 32 2.174 21.048 4.847 1.00 0.00 C ATOM 527 O LEU A 32 2.644 19.952 4.674 1.00 0.00 O ATOM 528 CB LEU A 32 1.798 22.689 3.004 1.00 0.00 C ATOM 529 CG LEU A 32 3.046 22.136 2.300 1.00 0.00 C ATOM 530 CD1 LEU A 32 2.690 20.886 1.489 1.00 0.00 C ATOM 531 CD2 LEU A 32 3.598 23.213 1.358 1.00 0.00 C ATOM 0 H LEU A 32 -0.081 23.259 4.499 1.00 0.00 H new ATOM 0 HA LEU A 32 0.738 20.825 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.083 23.040 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.073 23.550 3.613 1.00 0.00 H new ATOM 0 HG LEU A 32 3.793 21.867 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.584 20.505 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.290 20.122 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.942 21.140 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.485 22.833 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.841 23.472 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.861 24.100 1.934 1.00 0.00 H new ATOM 543 N LYS A 33 2.530 21.787 5.854 1.00 0.00 N ATOM 544 CA LYS A 33 3.545 21.293 6.833 1.00 0.00 C ATOM 545 C LYS A 33 3.060 20.007 7.504 1.00 0.00 C ATOM 546 O LYS A 33 3.827 19.094 7.739 1.00 0.00 O ATOM 547 CB LYS A 33 3.757 22.366 7.901 1.00 0.00 C ATOM 548 CG LYS A 33 4.862 21.927 8.863 1.00 0.00 C ATOM 549 CD LYS A 33 5.100 23.026 9.894 1.00 0.00 C ATOM 550 CE LYS A 33 6.211 22.595 10.852 1.00 0.00 C ATOM 551 NZ LYS A 33 5.688 21.546 11.769 1.00 0.00 N ATOM 0 H LYS A 33 2.162 22.719 6.047 1.00 0.00 H new ATOM 0 HA LYS A 33 4.478 21.085 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.026 23.312 7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.830 22.535 8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.579 21.000 9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.780 21.725 8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.376 23.954 9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.183 23.223 10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.063 22.212 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.566 23.452 11.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.356 21.407 12.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.766 21.844 12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.576 20.653 11.247 1.00 0.00 H new ATOM 565 N GLU A 34 1.804 19.930 7.833 1.00 0.00 N ATOM 566 CA GLU A 34 1.288 18.715 8.505 1.00 0.00 C ATOM 567 C GLU A 34 1.410 17.524 7.561 1.00 0.00 C ATOM 568 O GLU A 34 1.764 16.445 7.959 1.00 0.00 O ATOM 569 CB GLU A 34 -0.172 18.938 8.902 1.00 0.00 C ATOM 570 CG GLU A 34 -0.230 19.960 10.039 1.00 0.00 C ATOM 571 CD GLU A 34 -1.688 20.299 10.347 1.00 0.00 C ATOM 572 OE1 GLU A 34 -2.551 19.784 9.658 1.00 0.00 O ATOM 573 OE2 GLU A 34 -1.915 21.071 11.263 1.00 0.00 O ATOM 0 H GLU A 34 1.112 20.660 7.664 1.00 0.00 H new ATOM 0 HA GLU A 34 1.870 18.511 9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.744 19.295 8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.624 17.998 9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.257 19.559 10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.313 20.863 9.759 1.00 0.00 H new ATOM 580 N LEU A 35 1.134 17.714 6.311 1.00 0.00 N ATOM 581 CA LEU A 35 1.266 16.589 5.347 1.00 0.00 C ATOM 582 C LEU A 35 2.723 16.134 5.302 1.00 0.00 C ATOM 583 O LEU A 35 3.029 14.969 5.375 1.00 0.00 O ATOM 584 CB LEU A 35 0.836 17.065 3.951 1.00 0.00 C ATOM 585 CG LEU A 35 1.144 15.974 2.885 1.00 0.00 C ATOM 586 CD1 LEU A 35 0.005 15.900 1.860 1.00 0.00 C ATOM 587 CD2 LEU A 35 2.450 16.306 2.139 1.00 0.00 C ATOM 0 H LEU A 35 0.822 18.598 5.910 1.00 0.00 H new ATOM 0 HA LEU A 35 0.633 15.759 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.230 17.292 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.359 17.987 3.698 1.00 0.00 H new ATOM 0 HG LEU A 35 1.246 15.018 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.232 15.133 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.926 15.650 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.101 16.864 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.652 15.534 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.349 17.270 1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.275 16.349 2.851 1.00 0.00 H new ATOM 599 N ILE A 36 3.620 17.056 5.133 1.00 0.00 N ATOM 600 CA ILE A 36 5.056 16.694 5.014 1.00 0.00 C ATOM 601 C ILE A 36 5.618 16.186 6.346 1.00 0.00 C ATOM 602 O ILE A 36 6.347 15.214 6.381 1.00 0.00 O ATOM 603 CB ILE A 36 5.831 17.936 4.560 1.00 0.00 C ATOM 604 CG1 ILE A 36 5.203 18.486 3.274 1.00 0.00 C ATOM 605 CG2 ILE A 36 7.290 17.571 4.270 1.00 0.00 C ATOM 606 CD1 ILE A 36 5.878 19.808 2.905 1.00 0.00 C ATOM 0 H ILE A 36 3.420 18.054 5.071 1.00 0.00 H new ATOM 0 HA ILE A 36 5.161 15.889 4.286 1.00 0.00 H new ATOM 0 HB ILE A 36 5.791 18.683 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.319 17.767 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.133 18.638 3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.831 18.461 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.752 17.173 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.327 16.819 3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.433 20.201 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.739 20.526 3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.943 19.641 2.747 1.00 0.00 H new ATOM 618 N ASN A 37 5.321 16.834 7.435 1.00 0.00 N ATOM 619 CA ASN A 37 5.892 16.367 8.737 1.00 0.00 C ATOM 620 C ASN A 37 5.309 15.011 9.150 1.00 0.00 C ATOM 621 O ASN A 37 5.991 14.172 9.704 1.00 0.00 O ATOM 622 CB ASN A 37 5.570 17.386 9.835 1.00 0.00 C ATOM 623 CG ASN A 37 6.396 18.653 9.625 1.00 0.00 C ATOM 624 OD1 ASN A 37 6.127 19.424 8.728 1.00 0.00 O ATOM 625 ND2 ASN A 37 7.394 18.905 10.430 1.00 0.00 N ATOM 0 H ASN A 37 4.718 17.655 7.486 1.00 0.00 H new ATOM 0 HA ASN A 37 6.970 16.265 8.608 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.507 17.627 9.819 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.785 16.959 10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.949 19.752 10.305 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.618 18.255 11.183 1.00 0.00 H new ATOM 632 N ASN A 38 4.040 14.823 8.938 1.00 0.00 N ATOM 633 CA ASN A 38 3.363 13.549 9.376 1.00 0.00 C ATOM 634 C ASN A 38 3.173 12.533 8.239 1.00 0.00 C ATOM 635 O ASN A 38 3.146 11.343 8.484 1.00 0.00 O ATOM 636 CB ASN A 38 1.997 13.892 9.973 1.00 0.00 C ATOM 637 CG ASN A 38 2.187 14.589 11.323 1.00 0.00 C ATOM 638 OD1 ASN A 38 1.226 14.964 11.966 1.00 0.00 O ATOM 639 ND2 ASN A 38 3.394 14.780 11.784 1.00 0.00 N ATOM 0 H ASN A 38 3.428 15.496 8.477 1.00 0.00 H new ATOM 0 HA ASN A 38 4.016 13.080 10.112 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.444 14.539 9.293 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.406 12.985 10.101 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.529 15.243 12.683 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.201 14.466 11.245 1.00 0.00 H new ATOM 646 N GLU A 39 3.019 12.952 7.011 1.00 0.00 N ATOM 647 CA GLU A 39 2.811 11.940 5.930 1.00 0.00 C ATOM 648 C GLU A 39 4.166 11.343 5.569 1.00 0.00 C ATOM 649 O GLU A 39 4.261 10.373 4.845 1.00 0.00 O ATOM 650 CB GLU A 39 2.178 12.594 4.684 1.00 0.00 C ATOM 651 CG GLU A 39 1.508 11.517 3.813 1.00 0.00 C ATOM 652 CD GLU A 39 0.086 11.269 4.316 1.00 0.00 C ATOM 653 OE1 GLU A 39 -0.078 10.442 5.197 1.00 0.00 O ATOM 654 OE2 GLU A 39 -0.816 11.921 3.817 1.00 0.00 O ATOM 0 H GLU A 39 3.027 13.927 6.712 1.00 0.00 H new ATOM 0 HA GLU A 39 2.133 11.163 6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.442 13.339 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.942 13.117 4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.486 11.838 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.085 10.593 3.850 1.00 0.00 H new ATOM 661 N LEU A 40 5.212 11.927 6.086 1.00 0.00 N ATOM 662 CA LEU A 40 6.593 11.433 5.808 1.00 0.00 C ATOM 663 C LEU A 40 7.306 11.213 7.145 1.00 0.00 C ATOM 664 O LEU A 40 8.317 11.826 7.427 1.00 0.00 O ATOM 665 CB LEU A 40 7.356 12.491 5.001 1.00 0.00 C ATOM 666 CG LEU A 40 6.493 13.008 3.833 1.00 0.00 C ATOM 667 CD1 LEU A 40 7.171 14.220 3.174 1.00 0.00 C ATOM 668 CD2 LEU A 40 6.328 11.901 2.787 1.00 0.00 C ATOM 0 H LEU A 40 5.168 12.740 6.700 1.00 0.00 H new ATOM 0 HA LEU A 40 6.553 10.502 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.634 13.321 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.282 12.064 4.615 1.00 0.00 H new ATOM 0 HG LEU A 40 5.517 13.302 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.554 14.578 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.291 15.015 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.150 13.927 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.718 12.268 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.308 11.607 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.841 11.039 3.243 1.00 0.00 H new ATOM 680 N SER A 41 6.778 10.360 7.980 1.00 0.00 N ATOM 681 CA SER A 41 7.421 10.128 9.306 1.00 0.00 C ATOM 682 C SER A 41 8.849 9.612 9.113 1.00 0.00 C ATOM 683 O SER A 41 9.763 10.022 9.802 1.00 0.00 O ATOM 684 CB SER A 41 6.614 9.089 10.087 1.00 0.00 C ATOM 685 OG SER A 41 6.771 7.815 9.475 1.00 0.00 O ATOM 0 H SER A 41 5.934 9.816 7.803 1.00 0.00 H new ATOM 0 HA SER A 41 7.449 11.068 9.857 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.953 9.052 11.122 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.561 9.369 10.106 1.00 0.00 H new ATOM 0 HG SER A 41 6.257 7.147 9.974 1.00 0.00 H new ATOM 691 N HIS A 42 9.055 8.724 8.180 1.00 0.00 N ATOM 692 CA HIS A 42 10.431 8.191 7.942 1.00 0.00 C ATOM 693 C HIS A 42 10.618 7.912 6.448 1.00 0.00 C ATOM 694 O HIS A 42 11.606 7.340 6.035 1.00 0.00 O ATOM 695 CB HIS A 42 10.620 6.892 8.734 1.00 0.00 C ATOM 696 CG HIS A 42 10.517 7.180 10.208 1.00 0.00 C ATOM 697 ND1 HIS A 42 11.583 7.689 10.939 1.00 0.00 N ATOM 698 CD2 HIS A 42 9.486 7.030 11.104 1.00 0.00 C ATOM 699 CE1 HIS A 42 11.172 7.826 12.214 1.00 0.00 C ATOM 700 NE2 HIS A 42 9.905 7.438 12.366 1.00 0.00 N ATOM 0 H HIS A 42 8.331 8.343 7.571 1.00 0.00 H new ATOM 0 HA HIS A 42 11.167 8.925 8.269 1.00 0.00 H new ATOM 0 HB2 HIS A 42 9.864 6.163 8.442 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.591 6.453 8.506 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.502 6.653 10.865 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.791 8.203 13.014 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.358 7.440 13.227 1.00 0.00 H new ATOM 709 N PHE A 43 9.671 8.303 5.632 1.00 0.00 N ATOM 710 CA PHE A 43 9.792 8.047 4.163 1.00 0.00 C ATOM 711 C PHE A 43 10.501 9.225 3.476 1.00 0.00 C ATOM 712 O PHE A 43 10.889 9.138 2.328 1.00 0.00 O ATOM 713 CB PHE A 43 8.387 7.846 3.574 1.00 0.00 C ATOM 714 CG PHE A 43 8.450 7.782 2.059 1.00 0.00 C ATOM 715 CD1 PHE A 43 9.292 6.856 1.424 1.00 0.00 C ATOM 716 CD2 PHE A 43 7.667 8.652 1.287 1.00 0.00 C ATOM 717 CE1 PHE A 43 9.349 6.804 0.026 1.00 0.00 C ATOM 718 CE2 PHE A 43 7.728 8.599 -0.111 1.00 0.00 C ATOM 719 CZ PHE A 43 8.569 7.676 -0.741 1.00 0.00 C ATOM 0 H PHE A 43 8.820 8.788 5.919 1.00 0.00 H new ATOM 0 HA PHE A 43 10.386 7.149 3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.950 6.927 3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.736 8.664 3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.896 6.183 2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.016 9.364 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.996 6.090 -0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.125 9.271 -0.703 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.616 7.636 -1.819 1.00 0.00 H new ATOM 729 N LEU A 44 10.692 10.317 4.172 1.00 0.00 N ATOM 730 CA LEU A 44 11.394 11.487 3.563 1.00 0.00 C ATOM 731 C LEU A 44 11.920 12.366 4.693 1.00 0.00 C ATOM 732 O LEU A 44 11.510 12.238 5.830 1.00 0.00 O ATOM 733 CB LEU A 44 10.423 12.307 2.688 1.00 0.00 C ATOM 734 CG LEU A 44 11.204 13.067 1.586 1.00 0.00 C ATOM 735 CD1 LEU A 44 11.377 12.175 0.348 1.00 0.00 C ATOM 736 CD2 LEU A 44 10.443 14.338 1.184 1.00 0.00 C ATOM 0 H LEU A 44 10.391 10.449 5.138 1.00 0.00 H new ATOM 0 HA LEU A 44 12.211 11.135 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.687 11.645 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.873 13.015 3.308 1.00 0.00 H new ATOM 0 HG LEU A 44 12.184 13.336 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.927 12.720 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.930 11.276 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.397 11.895 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.999 14.865 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.458 14.067 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.330 14.985 2.054 1.00 0.00 H new ATOM 748 N GLU A 45 12.813 13.260 4.400 1.00 0.00 N ATOM 749 CA GLU A 45 13.334 14.132 5.475 1.00 0.00 C ATOM 750 C GLU A 45 12.171 14.935 6.058 1.00 0.00 C ATOM 751 O GLU A 45 11.535 15.713 5.375 1.00 0.00 O ATOM 752 CB GLU A 45 14.377 15.090 4.890 1.00 0.00 C ATOM 753 CG GLU A 45 14.975 15.958 6.002 1.00 0.00 C ATOM 754 CD GLU A 45 15.822 15.088 6.932 1.00 0.00 C ATOM 755 OE1 GLU A 45 16.182 13.996 6.524 1.00 0.00 O ATOM 756 OE2 GLU A 45 16.098 15.530 8.035 1.00 0.00 O ATOM 0 H GLU A 45 13.201 13.423 3.471 1.00 0.00 H new ATOM 0 HA GLU A 45 13.798 13.530 6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.166 14.523 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.916 15.723 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.587 16.749 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.179 16.443 6.566 1.00 0.00 H new ATOM 763 N GLU A 46 11.902 14.764 7.319 1.00 0.00 N ATOM 764 CA GLU A 46 10.796 15.525 7.957 1.00 0.00 C ATOM 765 C GLU A 46 11.150 17.005 7.968 1.00 0.00 C ATOM 766 O GLU A 46 12.286 17.389 7.770 1.00 0.00 O ATOM 767 CB GLU A 46 10.612 15.048 9.407 1.00 0.00 C ATOM 768 CG GLU A 46 9.687 13.838 9.447 1.00 0.00 C ATOM 769 CD GLU A 46 9.611 13.317 10.884 1.00 0.00 C ATOM 770 OE1 GLU A 46 10.389 13.780 11.702 1.00 0.00 O ATOM 771 OE2 GLU A 46 8.776 12.469 11.144 1.00 0.00 O ATOM 0 H GLU A 46 12.403 14.127 7.938 1.00 0.00 H new ATOM 0 HA GLU A 46 9.875 15.363 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.579 14.791 9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.197 15.853 10.013 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.693 14.112 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.059 13.058 8.783 1.00 0.00 H new ATOM 778 N ILE A 47 10.184 17.834 8.230 1.00 0.00 N ATOM 779 CA ILE A 47 10.445 19.288 8.301 1.00 0.00 C ATOM 780 C ILE A 47 10.658 19.625 9.764 1.00 0.00 C ATOM 781 O ILE A 47 9.803 19.384 10.592 1.00 0.00 O ATOM 782 CB ILE A 47 9.238 20.060 7.791 1.00 0.00 C ATOM 783 CG1 ILE A 47 8.906 19.599 6.362 1.00 0.00 C ATOM 784 CG2 ILE A 47 9.533 21.575 7.836 1.00 0.00 C ATOM 785 CD1 ILE A 47 10.105 19.798 5.430 1.00 0.00 C ATOM 0 H ILE A 47 9.216 17.561 8.399 1.00 0.00 H new ATOM 0 HA ILE A 47 11.311 19.552 7.694 1.00 0.00 H new ATOM 0 HB ILE A 47 8.374 19.865 8.426 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.619 18.547 6.372 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.050 20.159 5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.666 22.125 7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.746 21.874 8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 47 10.395 21.797 7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.844 19.464 4.426 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.374 20.854 5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.951 19.217 5.797 1.00 0.00 H new ATOM 797 N LYS A 48 11.802 20.139 10.102 1.00 0.00 N ATOM 798 CA LYS A 48 12.090 20.444 11.529 1.00 0.00 C ATOM 799 C LYS A 48 11.830 21.933 11.786 1.00 0.00 C ATOM 800 O LYS A 48 11.772 22.376 12.916 1.00 0.00 O ATOM 801 CB LYS A 48 13.564 20.068 11.840 1.00 0.00 C ATOM 802 CG LYS A 48 14.160 19.138 10.746 1.00 0.00 C ATOM 803 CD LYS A 48 13.423 17.786 10.608 1.00 0.00 C ATOM 804 CE LYS A 48 13.051 17.193 11.962 1.00 0.00 C ATOM 805 NZ LYS A 48 14.219 17.263 12.884 1.00 0.00 N ATOM 0 H LYS A 48 12.554 20.363 9.450 1.00 0.00 H new ATOM 0 HA LYS A 48 11.441 19.864 12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.164 20.975 11.914 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.617 19.571 12.809 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.132 19.656 9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 48 15.209 18.948 10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.520 17.925 10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.056 17.083 10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.208 17.737 12.388 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.734 16.157 11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.354 16.340 13.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.073 17.509 12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.046 17.989 13.608 1.00 0.00 H new ATOM 819 N GLU A 49 11.663 22.707 10.742 1.00 0.00 N ATOM 820 CA GLU A 49 11.393 24.168 10.914 1.00 0.00 C ATOM 821 C GLU A 49 10.346 24.635 9.902 1.00 0.00 C ATOM 822 O GLU A 49 10.272 24.146 8.792 1.00 0.00 O ATOM 823 CB GLU A 49 12.685 24.957 10.705 1.00 0.00 C ATOM 824 CG GLU A 49 13.601 24.759 11.909 1.00 0.00 C ATOM 825 CD GLU A 49 14.973 25.367 11.618 1.00 0.00 C ATOM 826 OE1 GLU A 49 15.145 25.902 10.536 1.00 0.00 O ATOM 827 OE2 GLU A 49 15.828 25.293 12.485 1.00 0.00 O ATOM 0 H GLU A 49 11.702 22.388 9.774 1.00 0.00 H new ATOM 0 HA GLU A 49 11.016 24.339 11.922 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.185 24.623 9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.460 26.016 10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.165 25.228 12.791 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.703 23.696 12.130 1.00 0.00 H new ATOM 834 N GLN A 50 9.550 25.595 10.280 1.00 0.00 N ATOM 835 CA GLN A 50 8.511 26.130 9.356 1.00 0.00 C ATOM 836 C GLN A 50 9.196 26.878 8.211 1.00 0.00 C ATOM 837 O GLN A 50 8.631 27.058 7.154 1.00 0.00 O ATOM 838 CB GLN A 50 7.609 27.109 10.117 1.00 0.00 C ATOM 839 CG GLN A 50 6.382 27.502 9.250 1.00 0.00 C ATOM 840 CD GLN A 50 6.117 29.008 9.357 1.00 0.00 C ATOM 841 OE1 GLN A 50 5.115 29.427 9.901 1.00 0.00 O ATOM 842 NE2 GLN A 50 6.987 29.840 8.852 1.00 0.00 N ATOM 0 H GLN A 50 9.575 26.037 11.199 1.00 0.00 H new ATOM 0 HA GLN A 50 7.915 25.307 8.962 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.273 26.654 11.049 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.174 28.002 10.384 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.561 27.230 8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.503 26.947 9.578 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.827 29.485 8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.826 30.845 8.914 1.00 0.00 H new ATOM 851 N GLU A 51 10.404 27.332 8.416 1.00 0.00 N ATOM 852 CA GLU A 51 11.103 28.087 7.333 1.00 0.00 C ATOM 853 C GLU A 51 11.241 27.200 6.101 1.00 0.00 C ATOM 854 O GLU A 51 11.106 27.653 4.986 1.00 0.00 O ATOM 855 CB GLU A 51 12.491 28.534 7.820 1.00 0.00 C ATOM 856 CG GLU A 51 13.447 27.337 7.881 1.00 0.00 C ATOM 857 CD GLU A 51 14.726 27.744 8.616 1.00 0.00 C ATOM 858 OE1 GLU A 51 14.716 28.786 9.250 1.00 0.00 O ATOM 859 OE2 GLU A 51 15.697 27.009 8.526 1.00 0.00 O ATOM 0 H GLU A 51 10.934 27.215 9.279 1.00 0.00 H new ATOM 0 HA GLU A 51 10.520 28.971 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.892 29.294 7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.408 28.992 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.970 26.502 8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.686 26.997 6.873 1.00 0.00 H new ATOM 866 N VAL A 52 11.504 25.944 6.288 1.00 0.00 N ATOM 867 CA VAL A 52 11.639 25.041 5.120 1.00 0.00 C ATOM 868 C VAL A 52 10.338 25.048 4.347 1.00 0.00 C ATOM 869 O VAL A 52 10.320 25.008 3.139 1.00 0.00 O ATOM 870 CB VAL A 52 11.933 23.624 5.596 1.00 0.00 C ATOM 871 CG1 VAL A 52 12.084 22.693 4.389 1.00 0.00 C ATOM 872 CG2 VAL A 52 13.215 23.626 6.423 1.00 0.00 C ATOM 0 H VAL A 52 11.632 25.503 7.199 1.00 0.00 H new ATOM 0 HA VAL A 52 12.456 25.382 4.484 1.00 0.00 H new ATOM 0 HB VAL A 52 11.109 23.266 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.294 21.681 4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.160 22.695 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.905 23.040 3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.429 22.613 6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.043 23.984 5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.091 24.282 7.285 1.00 0.00 H new ATOM 882 N VAL A 53 9.251 25.074 5.043 1.00 0.00 N ATOM 883 CA VAL A 53 7.936 25.066 4.369 1.00 0.00 C ATOM 884 C VAL A 53 7.747 26.343 3.570 1.00 0.00 C ATOM 885 O VAL A 53 7.176 26.328 2.515 1.00 0.00 O ATOM 886 CB VAL A 53 6.846 24.960 5.421 1.00 0.00 C ATOM 887 CG1 VAL A 53 5.489 24.810 4.743 1.00 0.00 C ATOM 888 CG2 VAL A 53 7.129 23.748 6.299 1.00 0.00 C ATOM 0 H VAL A 53 9.215 25.101 6.062 1.00 0.00 H new ATOM 0 HA VAL A 53 7.884 24.216 3.688 1.00 0.00 H new ATOM 0 HB VAL A 53 6.831 25.861 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.710 24.734 5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.299 25.679 4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.487 23.909 4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.353 23.660 7.059 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.138 22.848 5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.099 23.867 6.782 1.00 0.00 H new ATOM 898 N ASP A 54 8.196 27.449 4.079 1.00 0.00 N ATOM 899 CA ASP A 54 8.013 28.734 3.349 1.00 0.00 C ATOM 900 C ASP A 54 8.836 28.724 2.062 1.00 0.00 C ATOM 901 O ASP A 54 8.427 29.242 1.043 1.00 0.00 O ATOM 902 CB ASP A 54 8.459 29.893 4.243 1.00 0.00 C ATOM 903 CG ASP A 54 7.462 30.057 5.393 1.00 0.00 C ATOM 904 OD1 ASP A 54 6.332 29.625 5.238 1.00 0.00 O ATOM 905 OD2 ASP A 54 7.850 30.602 6.413 1.00 0.00 O ATOM 0 H ASP A 54 8.684 27.523 4.972 1.00 0.00 H new ATOM 0 HA ASP A 54 6.961 28.858 3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.457 29.701 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.517 30.814 3.663 1.00 0.00 H new ATOM 910 N LYS A 55 9.991 28.135 2.107 1.00 0.00 N ATOM 911 CA LYS A 55 10.858 28.076 0.895 1.00 0.00 C ATOM 912 C LYS A 55 10.178 27.179 -0.126 1.00 0.00 C ATOM 913 O LYS A 55 10.152 27.453 -1.313 1.00 0.00 O ATOM 914 CB LYS A 55 12.223 27.489 1.268 1.00 0.00 C ATOM 915 CG LYS A 55 13.130 27.458 0.034 1.00 0.00 C ATOM 916 CD LYS A 55 14.489 26.871 0.416 1.00 0.00 C ATOM 917 CE LYS A 55 15.398 26.838 -0.815 1.00 0.00 C ATOM 918 NZ LYS A 55 15.705 28.230 -1.249 1.00 0.00 N ATOM 0 H LYS A 55 10.380 27.686 2.937 1.00 0.00 H new ATOM 0 HA LYS A 55 11.005 29.075 0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.684 28.087 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.099 26.481 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.671 26.859 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.256 28.465 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.947 27.470 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.363 25.864 0.814 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.321 26.307 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.911 26.293 -1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.529 28.222 -1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.885 28.626 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.915 28.815 -0.415 1.00 0.00 H new ATOM 932 N VAL A 56 9.604 26.114 0.344 1.00 0.00 N ATOM 933 CA VAL A 56 8.896 25.187 -0.564 1.00 0.00 C ATOM 934 C VAL A 56 7.695 25.920 -1.138 1.00 0.00 C ATOM 935 O VAL A 56 7.313 25.722 -2.270 1.00 0.00 O ATOM 936 CB VAL A 56 8.440 23.949 0.223 1.00 0.00 C ATOM 937 CG1 VAL A 56 7.365 23.186 -0.562 1.00 0.00 C ATOM 938 CG2 VAL A 56 9.645 23.032 0.455 1.00 0.00 C ATOM 0 H VAL A 56 9.596 25.845 1.328 1.00 0.00 H new ATOM 0 HA VAL A 56 9.552 24.860 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 56 8.021 24.266 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.051 22.311 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.507 23.837 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.772 22.867 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.329 22.151 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.058 22.724 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.406 23.568 1.023 1.00 0.00 H new ATOM 948 N MET A 57 7.097 26.768 -0.358 1.00 0.00 N ATOM 949 CA MET A 57 5.914 27.506 -0.860 1.00 0.00 C ATOM 950 C MET A 57 6.347 28.489 -1.933 1.00 0.00 C ATOM 951 O MET A 57 5.621 28.762 -2.849 1.00 0.00 O ATOM 952 CB MET A 57 5.195 28.212 0.289 1.00 0.00 C ATOM 953 CG MET A 57 4.500 27.155 1.152 1.00 0.00 C ATOM 954 SD MET A 57 3.092 26.445 0.253 1.00 0.00 S ATOM 955 CE MET A 57 1.863 27.715 0.644 1.00 0.00 C ATOM 0 H MET A 57 7.374 26.981 0.600 1.00 0.00 H new ATOM 0 HA MET A 57 5.208 26.802 -1.302 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.906 28.781 0.888 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.465 28.922 -0.100 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.207 26.368 1.417 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.158 27.603 2.085 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.109 27.298 1.312 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.353 28.558 1.131 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.386 28.055 -0.275 1.00 0.00 H new ATOM 965 N GLU A 58 7.538 28.997 -1.877 1.00 0.00 N ATOM 966 CA GLU A 58 7.957 29.921 -2.960 1.00 0.00 C ATOM 967 C GLU A 58 7.814 29.146 -4.271 1.00 0.00 C ATOM 968 O GLU A 58 7.433 29.679 -5.294 1.00 0.00 O ATOM 969 CB GLU A 58 9.412 30.350 -2.751 1.00 0.00 C ATOM 970 CG GLU A 58 9.818 31.335 -3.850 1.00 0.00 C ATOM 971 CD GLU A 58 11.271 31.767 -3.641 1.00 0.00 C ATOM 972 OE1 GLU A 58 11.831 31.418 -2.615 1.00 0.00 O ATOM 973 OE2 GLU A 58 11.800 32.437 -4.512 1.00 0.00 O ATOM 0 H GLU A 58 8.228 28.820 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 58 7.346 30.824 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.528 30.814 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.066 29.478 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.703 30.870 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.163 32.206 -3.832 1.00 0.00 H new ATOM 980 N THR A 59 8.107 27.875 -4.222 1.00 0.00 N ATOM 981 CA THR A 59 7.987 27.014 -5.433 1.00 0.00 C ATOM 982 C THR A 59 6.522 26.614 -5.695 1.00 0.00 C ATOM 983 O THR A 59 6.053 26.666 -6.815 1.00 0.00 O ATOM 984 CB THR A 59 8.814 25.748 -5.207 1.00 0.00 C ATOM 985 OG1 THR A 59 10.132 26.110 -4.822 1.00 0.00 O ATOM 986 CG2 THR A 59 8.868 24.917 -6.487 1.00 0.00 C ATOM 0 H THR A 59 8.428 27.391 -3.384 1.00 0.00 H new ATOM 0 HA THR A 59 8.347 27.572 -6.297 1.00 0.00 H new ATOM 0 HB THR A 59 8.349 25.155 -4.420 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.664 25.300 -4.675 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.460 24.018 -6.313 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.857 24.634 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.326 25.504 -7.283 1.00 0.00 H new ATOM 994 N LEU A 60 5.802 26.184 -4.684 1.00 0.00 N ATOM 995 CA LEU A 60 4.386 25.748 -4.901 1.00 0.00 C ATOM 996 C LEU A 60 3.436 26.933 -4.774 1.00 0.00 C ATOM 997 O LEU A 60 2.297 26.866 -5.188 1.00 0.00 O ATOM 998 CB LEU A 60 4.011 24.690 -3.862 1.00 0.00 C ATOM 999 CG LEU A 60 5.139 23.664 -3.732 1.00 0.00 C ATOM 1000 CD1 LEU A 60 4.694 22.547 -2.788 1.00 0.00 C ATOM 1001 CD2 LEU A 60 5.486 23.077 -5.106 1.00 0.00 C ATOM 0 H LEU A 60 6.133 26.117 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 60 4.301 25.331 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.826 25.164 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.087 24.192 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 60 6.026 24.154 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.493 21.812 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.467 22.967 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.804 22.063 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.290 22.349 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.607 22.588 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.808 23.877 -5.773 1.00 0.00 H new ATOM 1013 N ASP A 61 3.884 28.027 -4.234 1.00 0.00 N ATOM 1014 CA ASP A 61 2.979 29.203 -4.136 1.00 0.00 C ATOM 1015 C ASP A 61 2.988 29.850 -5.504 1.00 0.00 C ATOM 1016 O ASP A 61 3.435 30.964 -5.691 1.00 0.00 O ATOM 1017 CB ASP A 61 3.474 30.197 -3.085 1.00 0.00 C ATOM 1018 CG ASP A 61 2.419 31.278 -2.880 1.00 0.00 C ATOM 1019 OD1 ASP A 61 1.370 31.181 -3.496 1.00 0.00 O ATOM 1020 OD2 ASP A 61 2.675 32.185 -2.106 1.00 0.00 O ATOM 0 H ASP A 61 4.824 28.159 -3.861 1.00 0.00 H new ATOM 0 HA ASP A 61 1.977 28.897 -3.834 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.671 29.682 -2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.414 30.646 -3.406 1.00 0.00 H new ATOM 1025 N GLU A 62 2.525 29.119 -6.467 1.00 0.00 N ATOM 1026 CA GLU A 62 2.518 29.614 -7.863 1.00 0.00 C ATOM 1027 C GLU A 62 1.706 30.903 -7.949 1.00 0.00 C ATOM 1028 O GLU A 62 2.075 31.831 -8.639 1.00 0.00 O ATOM 1029 CB GLU A 62 1.888 28.549 -8.755 1.00 0.00 C ATOM 1030 CG GLU A 62 2.595 27.208 -8.523 1.00 0.00 C ATOM 1031 CD GLU A 62 2.054 26.173 -9.510 1.00 0.00 C ATOM 1032 OE1 GLU A 62 1.069 26.468 -10.167 1.00 0.00 O ATOM 1033 OE2 GLU A 62 2.630 25.100 -9.589 1.00 0.00 O ATOM 0 H GLU A 62 2.143 28.181 -6.345 1.00 0.00 H new ATOM 0 HA GLU A 62 3.538 29.817 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.825 28.455 -8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.971 28.840 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.671 27.324 -8.653 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.433 26.871 -7.499 1.00 0.00 H new ATOM 1040 N ASP A 63 0.607 30.975 -7.254 1.00 0.00 N ATOM 1041 CA ASP A 63 -0.215 32.218 -7.304 1.00 0.00 C ATOM 1042 C ASP A 63 0.365 33.246 -6.325 1.00 0.00 C ATOM 1043 O ASP A 63 -0.088 34.370 -6.251 1.00 0.00 O ATOM 1044 CB ASP A 63 -1.666 31.895 -6.939 1.00 0.00 C ATOM 1045 CG ASP A 63 -1.758 31.476 -5.473 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -0.720 31.272 -4.865 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -2.870 31.362 -4.986 1.00 0.00 O ATOM 0 H ASP A 63 0.242 30.233 -6.656 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.195 32.632 -8.312 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.296 32.766 -7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.040 31.095 -7.578 1.00 0.00 H new ATOM 1052 N GLY A 64 1.386 32.876 -5.595 1.00 0.00 N ATOM 1053 CA GLY A 64 2.018 33.845 -4.646 1.00 0.00 C ATOM 1054 C GLY A 64 1.042 34.230 -3.527 1.00 0.00 C ATOM 1055 O GLY A 64 1.042 35.354 -3.066 1.00 0.00 O ATOM 0 H GLY A 64 1.809 31.948 -5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.917 33.404 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.329 34.739 -5.186 1.00 0.00 H new ATOM 1059 N ASP A 65 0.205 33.318 -3.087 1.00 0.00 N ATOM 1060 CA ASP A 65 -0.777 33.649 -1.999 1.00 0.00 C ATOM 1061 C ASP A 65 -0.348 33.003 -0.678 1.00 0.00 C ATOM 1062 O ASP A 65 -1.023 33.122 0.325 1.00 0.00 O ATOM 1063 CB ASP A 65 -2.155 33.123 -2.398 1.00 0.00 C ATOM 1064 CG ASP A 65 -2.111 31.599 -2.514 1.00 0.00 C ATOM 1065 OD1 ASP A 65 -1.023 31.050 -2.463 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -3.168 31.009 -2.666 1.00 0.00 O ATOM 0 H ASP A 65 0.158 32.360 -3.433 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.812 34.730 -1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.897 33.420 -1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.461 33.561 -3.348 1.00 0.00 H new ATOM 1071 N GLY A 66 0.756 32.313 -0.667 1.00 0.00 N ATOM 1072 CA GLY A 66 1.210 31.655 0.594 1.00 0.00 C ATOM 1073 C GLY A 66 0.360 30.404 0.819 1.00 0.00 C ATOM 1074 O GLY A 66 0.370 29.801 1.874 1.00 0.00 O ATOM 0 H GLY A 66 1.365 32.174 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.265 31.389 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.108 32.339 1.437 1.00 0.00 H new ATOM 1078 N GLU A 67 -0.379 30.028 -0.184 1.00 0.00 N ATOM 1079 CA GLU A 67 -1.264 28.832 -0.108 1.00 0.00 C ATOM 1080 C GLU A 67 -1.183 28.088 -1.448 1.00 0.00 C ATOM 1081 O GLU A 67 -1.351 28.674 -2.499 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.698 29.320 0.157 1.00 0.00 C ATOM 1083 CG GLU A 67 -3.708 28.180 -0.009 1.00 0.00 C ATOM 1084 CD GLU A 67 -5.102 28.685 0.364 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -5.624 29.515 -0.363 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -5.626 28.235 1.370 1.00 0.00 O ATOM 0 H GLU A 67 -0.408 30.514 -1.080 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.960 28.156 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.766 29.727 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.943 30.130 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.702 27.820 -1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.431 27.338 0.625 1.00 0.00 H new ATOM 1093 N CYS A 68 -0.927 26.803 -1.417 1.00 0.00 N ATOM 1094 CA CYS A 68 -0.832 26.006 -2.684 1.00 0.00 C ATOM 1095 C CYS A 68 -2.089 25.149 -2.824 1.00 0.00 C ATOM 1096 O CYS A 68 -2.503 24.474 -1.902 1.00 0.00 O ATOM 1097 CB CYS A 68 0.418 25.116 -2.641 1.00 0.00 C ATOM 1098 SG CYS A 68 0.589 24.386 -0.993 1.00 0.00 S ATOM 0 H CYS A 68 -0.778 26.266 -0.562 1.00 0.00 H new ATOM 0 HA CYS A 68 -0.753 26.675 -3.541 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.343 24.330 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.304 25.704 -2.883 1.00 0.00 H new ATOM 0 HG CYS A 68 1.507 25.023 -0.329 1.00 0.00 H new ATOM 1104 N ASP A 69 -2.711 25.192 -3.967 1.00 0.00 N ATOM 1105 CA ASP A 69 -3.958 24.407 -4.175 1.00 0.00 C ATOM 1106 C ASP A 69 -3.624 22.944 -4.460 1.00 0.00 C ATOM 1107 O ASP A 69 -2.496 22.595 -4.751 1.00 0.00 O ATOM 1108 CB ASP A 69 -4.730 24.988 -5.361 1.00 0.00 C ATOM 1109 CG ASP A 69 -5.301 26.355 -4.981 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -5.410 26.620 -3.795 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -5.624 27.112 -5.882 1.00 0.00 O ATOM 0 H ASP A 69 -2.407 25.741 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.565 24.462 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.072 25.085 -6.224 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.536 24.313 -5.649 1.00 0.00 H new ATOM 1116 N PHE A 70 -4.606 22.086 -4.386 1.00 0.00 N ATOM 1117 CA PHE A 70 -4.375 20.653 -4.657 1.00 0.00 C ATOM 1118 C PHE A 70 -3.643 20.512 -5.995 1.00 0.00 C ATOM 1119 O PHE A 70 -2.811 19.649 -6.158 1.00 0.00 O ATOM 1120 CB PHE A 70 -5.734 19.945 -4.698 1.00 0.00 C ATOM 1121 CG PHE A 70 -5.582 18.570 -5.298 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -4.728 17.639 -4.700 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -6.285 18.230 -6.460 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -4.578 16.369 -5.261 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -6.133 16.964 -7.020 1.00 0.00 C ATOM 1126 CZ PHE A 70 -5.280 16.031 -6.423 1.00 0.00 C ATOM 0 H PHE A 70 -5.567 22.328 -4.146 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.761 20.200 -3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.144 19.868 -3.691 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.441 20.531 -5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.184 17.902 -3.805 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.945 18.949 -6.922 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.920 15.648 -4.798 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.675 16.703 -7.917 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.163 15.050 -6.859 1.00 0.00 H new ATOM 1136 N GLN A 71 -3.942 21.351 -6.952 1.00 0.00 N ATOM 1137 CA GLN A 71 -3.238 21.252 -8.263 1.00 0.00 C ATOM 1138 C GLN A 71 -1.772 21.689 -8.096 1.00 0.00 C ATOM 1139 O GLN A 71 -0.876 21.126 -8.694 1.00 0.00 O ATOM 1140 CB GLN A 71 -3.932 22.132 -9.307 1.00 0.00 C ATOM 1141 CG GLN A 71 -4.115 23.549 -8.766 1.00 0.00 C ATOM 1142 CD GLN A 71 -4.825 24.401 -9.819 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -5.823 23.988 -10.377 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -4.352 25.579 -10.121 1.00 0.00 N ATOM 0 H GLN A 71 -4.637 22.094 -6.883 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.269 20.218 -8.605 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.341 22.158 -10.222 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.901 21.706 -9.566 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.698 23.527 -7.845 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.147 23.985 -8.520 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.515 25.927 -9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.819 26.151 -10.824 1.00 0.00 H new ATOM 1153 N GLU A 72 -1.513 22.690 -7.292 1.00 0.00 N ATOM 1154 CA GLU A 72 -0.100 23.142 -7.101 1.00 0.00 C ATOM 1155 C GLU A 72 0.678 22.083 -6.313 1.00 0.00 C ATOM 1156 O GLU A 72 1.818 21.773 -6.616 1.00 0.00 O ATOM 1157 CB GLU A 72 -0.094 24.453 -6.307 1.00 0.00 C ATOM 1158 CG GLU A 72 -0.648 25.597 -7.158 1.00 0.00 C ATOM 1159 CD GLU A 72 -0.628 26.890 -6.339 1.00 0.00 C ATOM 1160 OE1 GLU A 72 0.377 27.580 -6.379 1.00 0.00 O ATOM 1161 OE2 GLU A 72 -1.618 27.168 -5.681 1.00 0.00 O ATOM 0 H GLU A 72 -2.213 23.211 -6.763 1.00 0.00 H new ATOM 0 HA GLU A 72 0.366 23.291 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.693 24.341 -5.404 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.922 24.688 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.051 25.716 -8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.666 25.370 -7.476 1.00 0.00 H new ATOM 1168 N PHE A 73 0.069 21.517 -5.310 1.00 0.00 N ATOM 1169 CA PHE A 73 0.769 20.476 -4.514 1.00 0.00 C ATOM 1170 C PHE A 73 0.920 19.224 -5.363 1.00 0.00 C ATOM 1171 O PHE A 73 1.815 18.432 -5.165 1.00 0.00 O ATOM 1172 CB PHE A 73 -0.022 20.143 -3.249 1.00 0.00 C ATOM 1173 CG PHE A 73 0.700 19.043 -2.511 1.00 0.00 C ATOM 1174 CD1 PHE A 73 1.689 19.362 -1.575 1.00 0.00 C ATOM 1175 CD2 PHE A 73 0.399 17.702 -2.782 1.00 0.00 C ATOM 1176 CE1 PHE A 73 2.375 18.341 -0.906 1.00 0.00 C ATOM 1177 CE2 PHE A 73 1.086 16.682 -2.114 1.00 0.00 C ATOM 1178 CZ PHE A 73 2.074 17.002 -1.176 1.00 0.00 C ATOM 0 H PHE A 73 -0.882 21.731 -5.008 1.00 0.00 H new ATOM 0 HA PHE A 73 1.749 20.852 -4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.115 21.026 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.033 19.827 -3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.924 20.396 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.363 17.455 -3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.137 18.587 -0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.854 15.648 -2.322 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.604 16.215 -0.660 1.00 0.00 H new ATOM 1188 N MET A 74 0.042 19.048 -6.306 1.00 0.00 N ATOM 1189 CA MET A 74 0.105 17.854 -7.183 1.00 0.00 C ATOM 1190 C MET A 74 1.447 17.861 -7.913 1.00 0.00 C ATOM 1191 O MET A 74 2.061 16.831 -8.137 1.00 0.00 O ATOM 1192 CB MET A 74 -1.069 17.904 -8.193 1.00 0.00 C ATOM 1193 CG MET A 74 -2.258 17.012 -7.740 1.00 0.00 C ATOM 1194 SD MET A 74 -2.298 15.484 -8.722 1.00 0.00 S ATOM 1195 CE MET A 74 -0.638 14.860 -8.337 1.00 0.00 C ATOM 0 H MET A 74 -0.725 19.689 -6.508 1.00 0.00 H new ATOM 0 HA MET A 74 0.020 16.938 -6.598 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.409 18.934 -8.305 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.720 17.575 -9.172 1.00 0.00 H new ATOM 0 HG2 MET A 74 -2.160 16.771 -6.681 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.196 17.555 -7.858 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.532 13.846 -8.722 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.109 15.504 -8.800 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.493 14.855 -7.257 1.00 0.00 H new ATOM 1205 N ALA A 75 1.911 19.012 -8.293 1.00 0.00 N ATOM 1206 CA ALA A 75 3.207 19.063 -9.006 1.00 0.00 C ATOM 1207 C ALA A 75 4.349 18.719 -8.042 1.00 0.00 C ATOM 1208 O ALA A 75 5.328 18.110 -8.423 1.00 0.00 O ATOM 1209 CB ALA A 75 3.411 20.463 -9.604 1.00 0.00 C ATOM 0 H ALA A 75 1.454 19.911 -8.142 1.00 0.00 H new ATOM 0 HA ALA A 75 3.205 18.331 -9.814 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.366 20.499 -10.129 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.604 20.681 -10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.408 21.204 -8.805 1.00 0.00 H new ATOM 1215 N PHE A 76 4.235 19.103 -6.804 1.00 0.00 N ATOM 1216 CA PHE A 76 5.322 18.796 -5.820 1.00 0.00 C ATOM 1217 C PHE A 76 5.509 17.287 -5.685 1.00 0.00 C ATOM 1218 O PHE A 76 6.606 16.795 -5.565 1.00 0.00 O ATOM 1219 CB PHE A 76 4.940 19.372 -4.458 1.00 0.00 C ATOM 1220 CG PHE A 76 6.031 19.070 -3.452 1.00 0.00 C ATOM 1221 CD1 PHE A 76 7.276 19.705 -3.557 1.00 0.00 C ATOM 1222 CD2 PHE A 76 5.798 18.159 -2.412 1.00 0.00 C ATOM 1223 CE1 PHE A 76 8.284 19.430 -2.624 1.00 0.00 C ATOM 1224 CE2 PHE A 76 6.806 17.885 -1.481 1.00 0.00 C ATOM 1225 CZ PHE A 76 8.049 18.520 -1.587 1.00 0.00 C ATOM 0 H PHE A 76 3.439 19.616 -6.425 1.00 0.00 H new ATOM 0 HA PHE A 76 6.253 19.240 -6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.792 20.449 -4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.995 18.944 -4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.458 20.407 -4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.839 17.668 -2.329 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.243 19.920 -2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.625 17.183 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.827 18.308 -0.868 1.00 0.00 H new ATOM 1235 N VAL A 77 4.436 16.565 -5.675 1.00 0.00 N ATOM 1236 CA VAL A 77 4.507 15.077 -5.518 1.00 0.00 C ATOM 1237 C VAL A 77 5.303 14.475 -6.666 1.00 0.00 C ATOM 1238 O VAL A 77 6.030 13.526 -6.492 1.00 0.00 O ATOM 1239 CB VAL A 77 3.080 14.485 -5.497 1.00 0.00 C ATOM 1240 CG1 VAL A 77 2.992 13.314 -4.509 1.00 0.00 C ATOM 1241 CG2 VAL A 77 2.106 15.576 -5.082 1.00 0.00 C ATOM 0 H VAL A 77 3.492 16.939 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 77 5.005 14.839 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 77 2.832 14.113 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.979 12.912 -4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.692 12.533 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.242 13.663 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.094 15.172 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.370 15.941 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.155 16.398 -5.796 1.00 0.00 H new ATOM 1251 N SER A 78 5.159 15.007 -7.840 1.00 0.00 N ATOM 1252 CA SER A 78 5.914 14.445 -8.990 1.00 0.00 C ATOM 1253 C SER A 78 7.405 14.694 -8.773 1.00 0.00 C ATOM 1254 O SER A 78 8.236 13.859 -9.066 1.00 0.00 O ATOM 1255 CB SER A 78 5.454 15.120 -10.284 1.00 0.00 C ATOM 1256 OG SER A 78 6.505 15.073 -11.239 1.00 0.00 O ATOM 0 H SER A 78 4.556 15.801 -8.055 1.00 0.00 H new ATOM 0 HA SER A 78 5.731 13.373 -9.067 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.569 14.617 -10.675 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.172 16.154 -10.087 1.00 0.00 H new ATOM 0 HG SER A 78 6.862 15.975 -11.378 1.00 0.00 H new ATOM 1262 N MET A 79 7.744 15.848 -8.274 1.00 0.00 N ATOM 1263 CA MET A 79 9.177 16.186 -8.043 1.00 0.00 C ATOM 1264 C MET A 79 9.809 15.230 -7.025 1.00 0.00 C ATOM 1265 O MET A 79 10.890 14.711 -7.232 1.00 0.00 O ATOM 1266 CB MET A 79 9.248 17.618 -7.508 1.00 0.00 C ATOM 1267 CG MET A 79 8.874 18.597 -8.623 1.00 0.00 C ATOM 1268 SD MET A 79 8.625 20.248 -7.923 1.00 0.00 S ATOM 1269 CE MET A 79 10.283 20.455 -7.237 1.00 0.00 C ATOM 0 H MET A 79 7.083 16.580 -8.013 1.00 0.00 H new ATOM 0 HA MET A 79 9.726 16.093 -8.980 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.570 17.736 -6.663 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.253 17.832 -7.143 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.662 18.625 -9.376 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.966 18.263 -9.125 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.512 21.517 -7.154 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.328 19.996 -6.250 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.011 19.977 -7.893 1.00 0.00 H new ATOM 1279 N VAL A 80 9.151 14.998 -5.927 1.00 0.00 N ATOM 1280 CA VAL A 80 9.725 14.084 -4.891 1.00 0.00 C ATOM 1281 C VAL A 80 9.753 12.654 -5.425 1.00 0.00 C ATOM 1282 O VAL A 80 10.638 11.876 -5.127 1.00 0.00 O ATOM 1283 CB VAL A 80 8.873 14.130 -3.624 1.00 0.00 C ATOM 1284 CG1 VAL A 80 9.532 13.271 -2.544 1.00 0.00 C ATOM 1285 CG2 VAL A 80 8.760 15.575 -3.135 1.00 0.00 C ATOM 0 H VAL A 80 8.241 15.399 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 80 10.739 14.409 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 80 7.876 13.745 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.928 13.300 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.610 12.242 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.528 13.658 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.152 15.607 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.755 15.964 -2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.293 16.185 -3.908 1.00 0.00 H new ATOM 1295 N THR A 81 8.780 12.313 -6.211 1.00 0.00 N ATOM 1296 CA THR A 81 8.704 10.941 -6.786 1.00 0.00 C ATOM 1297 C THR A 81 9.952 10.689 -7.619 1.00 0.00 C ATOM 1298 O THR A 81 10.515 9.613 -7.619 1.00 0.00 O ATOM 1299 CB THR A 81 7.458 10.833 -7.663 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.303 11.085 -6.877 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.369 9.433 -8.276 1.00 0.00 C ATOM 0 H THR A 81 8.019 12.934 -6.487 1.00 0.00 H new ATOM 0 HA THR A 81 8.644 10.199 -5.989 1.00 0.00 H new ATOM 0 HB THR A 81 7.520 11.568 -8.465 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.923 11.954 -7.123 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.478 9.365 -8.900 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.253 9.246 -8.885 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.313 8.690 -7.480 1.00 0.00 H new ATOM 1309 N THR A 82 10.383 11.682 -8.331 1.00 0.00 N ATOM 1310 CA THR A 82 11.590 11.534 -9.174 1.00 0.00 C ATOM 1311 C THR A 82 12.760 11.150 -8.264 1.00 0.00 C ATOM 1312 O THR A 82 13.577 10.311 -8.597 1.00 0.00 O ATOM 1313 CB THR A 82 11.872 12.877 -9.855 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.705 13.307 -10.542 1.00 0.00 O ATOM 1315 CG2 THR A 82 13.012 12.725 -10.855 1.00 0.00 C ATOM 0 H THR A 82 9.944 12.602 -8.365 1.00 0.00 H new ATOM 0 HA THR A 82 11.450 10.766 -9.935 1.00 0.00 H new ATOM 0 HB THR A 82 12.152 13.610 -9.099 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.023 12.604 -10.501 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.206 13.685 -11.334 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.910 12.391 -10.335 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.737 11.990 -11.612 1.00 0.00 H new ATOM 1323 N ALA A 83 12.830 11.745 -7.104 1.00 0.00 N ATOM 1324 CA ALA A 83 13.924 11.407 -6.151 1.00 0.00 C ATOM 1325 C ALA A 83 13.841 9.916 -5.802 1.00 0.00 C ATOM 1326 O ALA A 83 14.841 9.237 -5.688 1.00 0.00 O ATOM 1327 CB ALA A 83 13.776 12.251 -4.878 1.00 0.00 C ATOM 0 H ALA A 83 12.174 12.453 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 83 14.891 11.620 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.577 12.003 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.833 13.309 -5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.813 12.042 -4.413 1.00 0.00 H new ATOM 1333 N CYS A 84 12.652 9.408 -5.626 1.00 0.00 N ATOM 1334 CA CYS A 84 12.495 7.968 -5.275 1.00 0.00 C ATOM 1335 C CYS A 84 13.116 7.104 -6.374 1.00 0.00 C ATOM 1336 O CYS A 84 13.666 6.053 -6.110 1.00 0.00 O ATOM 1337 CB CYS A 84 11.009 7.628 -5.139 1.00 0.00 C ATOM 1338 SG CYS A 84 10.289 8.590 -3.785 1.00 0.00 S ATOM 0 H CYS A 84 11.780 9.930 -5.710 1.00 0.00 H new ATOM 0 HA CYS A 84 12.998 7.772 -4.328 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.488 7.847 -6.071 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.885 6.562 -4.948 1.00 0.00 H new ATOM 0 HG CYS A 84 9.046 8.859 -4.056 1.00 0.00 H new ATOM 1344 N HIS A 85 13.038 7.533 -7.606 1.00 0.00 N ATOM 1345 CA HIS A 85 13.631 6.724 -8.709 1.00 0.00 C ATOM 1346 C HIS A 85 15.127 6.554 -8.470 1.00 0.00 C ATOM 1347 O HIS A 85 15.681 5.493 -8.681 1.00 0.00 O ATOM 1348 CB HIS A 85 13.432 7.455 -10.035 1.00 0.00 C ATOM 1349 CG HIS A 85 14.039 6.647 -11.147 1.00 0.00 C ATOM 1350 ND1 HIS A 85 15.385 6.308 -11.161 1.00 0.00 N ATOM 1351 CD2 HIS A 85 13.506 6.113 -12.295 1.00 0.00 C ATOM 1352 CE1 HIS A 85 15.615 5.602 -12.284 1.00 0.00 C ATOM 1353 NE2 HIS A 85 14.503 5.457 -13.007 1.00 0.00 N ATOM 0 H HIS A 85 12.592 8.404 -7.894 1.00 0.00 H new ATOM 0 HA HIS A 85 13.145 5.749 -8.739 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.369 7.610 -10.222 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.895 8.441 -9.992 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.472 6.191 -12.597 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.579 5.203 -12.564 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.405 4.967 -13.896 1.00 0.00 H new ATOM 1362 N GLU A 86 15.788 7.586 -8.030 1.00 0.00 N ATOM 1363 CA GLU A 86 17.249 7.468 -7.782 1.00 0.00 C ATOM 1364 C GLU A 86 17.496 6.387 -6.731 1.00 0.00 C ATOM 1365 O GLU A 86 18.365 5.551 -6.875 1.00 0.00 O ATOM 1366 CB GLU A 86 17.790 8.810 -7.278 1.00 0.00 C ATOM 1367 CG GLU A 86 19.298 8.701 -7.033 1.00 0.00 C ATOM 1368 CD GLU A 86 19.842 10.061 -6.594 1.00 0.00 C ATOM 1369 OE1 GLU A 86 19.088 11.019 -6.631 1.00 0.00 O ATOM 1370 OE2 GLU A 86 21.004 10.121 -6.225 1.00 0.00 O ATOM 0 H GLU A 86 15.383 8.501 -7.832 1.00 0.00 H new ATOM 0 HA GLU A 86 17.758 7.198 -8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.586 9.592 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.282 9.095 -6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.500 7.952 -6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.802 8.372 -7.942 1.00 0.00 H new ATOM 1377 N PHE A 87 16.733 6.398 -5.674 1.00 0.00 N ATOM 1378 CA PHE A 87 16.918 5.372 -4.612 1.00 0.00 C ATOM 1379 C PHE A 87 16.425 4.021 -5.120 1.00 0.00 C ATOM 1380 O PHE A 87 17.021 2.993 -4.870 1.00 0.00 O ATOM 1381 CB PHE A 87 16.125 5.769 -3.364 1.00 0.00 C ATOM 1382 CG PHE A 87 16.771 6.973 -2.720 1.00 0.00 C ATOM 1383 CD1 PHE A 87 17.898 6.811 -1.905 1.00 0.00 C ATOM 1384 CD2 PHE A 87 16.241 8.250 -2.936 1.00 0.00 C ATOM 1385 CE1 PHE A 87 18.496 7.928 -1.309 1.00 0.00 C ATOM 1386 CE2 PHE A 87 16.838 9.367 -2.339 1.00 0.00 C ATOM 1387 CZ PHE A 87 17.966 9.206 -1.525 1.00 0.00 C ATOM 0 H PHE A 87 15.989 7.074 -5.500 1.00 0.00 H new ATOM 0 HA PHE A 87 17.976 5.303 -4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 87 15.093 5.996 -3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 87 16.095 4.938 -2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 87 18.306 5.825 -1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 87 15.371 8.374 -3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 87 19.367 7.804 -0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 87 16.429 10.352 -2.506 1.00 0.00 H new ATOM 0 HZ PHE A 87 18.427 10.067 -1.064 1.00 0.00 H new ATOM 1397 N PHE A 88 15.331 4.020 -5.832 1.00 0.00 N ATOM 1398 CA PHE A 88 14.776 2.742 -6.366 1.00 0.00 C ATOM 1399 C PHE A 88 15.297 2.535 -7.782 1.00 0.00 C ATOM 1400 O PHE A 88 14.554 2.528 -8.742 1.00 0.00 O ATOM 1401 CB PHE A 88 13.237 2.821 -6.358 1.00 0.00 C ATOM 1402 CG PHE A 88 12.706 2.293 -5.041 1.00 0.00 C ATOM 1403 CD1 PHE A 88 13.379 2.586 -3.847 1.00 0.00 C ATOM 1404 CD2 PHE A 88 11.542 1.519 -5.017 1.00 0.00 C ATOM 1405 CE1 PHE A 88 12.885 2.101 -2.630 1.00 0.00 C ATOM 1406 CE2 PHE A 88 11.049 1.033 -3.800 1.00 0.00 C ATOM 1407 CZ PHE A 88 11.720 1.324 -2.607 1.00 0.00 C ATOM 0 H PHE A 88 14.794 4.854 -6.068 1.00 0.00 H new ATOM 0 HA PHE A 88 15.087 1.900 -5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.915 3.852 -6.504 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.829 2.240 -7.185 1.00 0.00 H new ATOM 0 HD1 PHE A 88 14.277 3.185 -3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.023 1.296 -5.937 1.00 0.00 H new ATOM 0 HE1 PHE A 88 13.402 2.326 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.151 0.434 -3.782 1.00 0.00 H new ATOM 0 HZ PHE A 88 11.339 0.949 -1.668 1.00 0.00 H new ATOM 1464 N MET B 0 -3.735 5.767 2.958 1.00 0.00 N ATOM 1465 CA MET B 0 -3.287 6.572 4.129 1.00 0.00 C ATOM 1466 C MET B 0 -1.758 6.581 4.194 1.00 0.00 C ATOM 1467 O MET B 0 -1.129 5.562 4.401 1.00 0.00 O ATOM 1468 CB MET B 0 -3.849 5.963 5.415 1.00 0.00 C ATOM 1469 CG MET B 0 -3.496 6.861 6.602 1.00 0.00 C ATOM 1470 SD MET B 0 -4.169 6.147 8.123 1.00 0.00 S ATOM 1471 CE MET B 0 -3.364 7.284 9.277 1.00 0.00 C ATOM 0 H1 MET B 0 -4.772 5.805 2.887 1.00 0.00 H new ATOM 0 H2 MET B 0 -3.314 6.154 2.089 1.00 0.00 H new ATOM 0 H3 MET B 0 -3.432 4.780 3.079 1.00 0.00 H new ATOM 0 HA MET B 0 -3.650 7.594 4.023 1.00 0.00 H new ATOM 0 HB2 MET B 0 -4.931 5.855 5.336 1.00 0.00 H new ATOM 0 HB3 MET B 0 -3.439 4.964 5.566 1.00 0.00 H new ATOM 0 HG2 MET B 0 -2.414 6.964 6.684 1.00 0.00 H new ATOM 0 HG3 MET B 0 -3.901 7.861 6.448 1.00 0.00 H new ATOM 0 HE1 MET B 0 -3.644 7.024 10.298 1.00 0.00 H new ATOM 0 HE2 MET B 0 -2.282 7.209 9.167 1.00 0.00 H new ATOM 0 HE3 MET B 0 -3.681 8.305 9.062 1.00 0.00 H new ATOM 1483 N SER B 1 -1.157 7.725 4.026 1.00 0.00 N ATOM 1484 CA SER B 1 0.333 7.803 4.082 1.00 0.00 C ATOM 1485 C SER B 1 0.951 6.735 3.174 1.00 0.00 C ATOM 1486 O SER B 1 2.139 6.484 3.211 1.00 0.00 O ATOM 1487 CB SER B 1 0.798 7.585 5.522 1.00 0.00 C ATOM 1488 OG SER B 1 2.217 7.659 5.574 1.00 0.00 O ATOM 0 H SER B 1 -1.631 8.611 3.852 1.00 0.00 H new ATOM 0 HA SER B 1 0.653 8.787 3.738 1.00 0.00 H new ATOM 0 HB2 SER B 1 0.359 8.338 6.176 1.00 0.00 H new ATOM 0 HB3 SER B 1 0.460 6.614 5.882 1.00 0.00 H new ATOM 0 HG SER B 1 2.592 7.355 4.721 1.00 0.00 H new ATOM 1494 N GLU B 2 0.157 6.127 2.340 1.00 0.00 N ATOM 1495 CA GLU B 2 0.689 5.098 1.400 1.00 0.00 C ATOM 1496 C GLU B 2 1.499 5.794 0.321 1.00 0.00 C ATOM 1497 O GLU B 2 1.994 5.176 -0.595 1.00 0.00 O ATOM 1498 CB GLU B 2 -0.471 4.349 0.758 1.00 0.00 C ATOM 1499 CG GLU B 2 -1.106 3.445 1.803 1.00 0.00 C ATOM 1500 CD GLU B 2 -2.285 2.693 1.184 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -2.624 2.995 0.052 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -2.825 1.825 1.850 1.00 0.00 O ATOM 0 H GLU B 2 -0.846 6.299 2.267 1.00 0.00 H new ATOM 0 HA GLU B 2 1.319 4.391 1.941 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -1.207 5.053 0.370 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -0.118 3.759 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -0.369 2.737 2.182 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -1.445 4.037 2.653 1.00 0.00 H new ATOM 1509 N LEU B 3 1.608 7.083 0.419 1.00 0.00 N ATOM 1510 CA LEU B 3 2.351 7.867 -0.606 1.00 0.00 C ATOM 1511 C LEU B 3 3.650 7.158 -0.984 1.00 0.00 C ATOM 1512 O LEU B 3 4.149 7.321 -2.074 1.00 0.00 O ATOM 1513 CB LEU B 3 2.669 9.254 -0.041 1.00 0.00 C ATOM 1514 CG LEU B 3 3.358 10.123 -1.102 1.00 0.00 C ATOM 1515 CD1 LEU B 3 2.417 10.344 -2.302 1.00 0.00 C ATOM 1516 CD2 LEU B 3 3.720 11.472 -0.468 1.00 0.00 C ATOM 0 H LEU B 3 1.209 7.638 1.176 1.00 0.00 H new ATOM 0 HA LEU B 3 1.734 7.961 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU B 3 1.750 9.737 0.292 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.313 9.158 0.833 1.00 0.00 H new ATOM 0 HG LEU B 3 4.259 9.623 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU B 3 2.917 10.962 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU B 3 2.158 9.382 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU B 3 1.509 10.845 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.211 12.102 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU B 3 2.813 11.964 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.394 11.310 0.373 1.00 0.00 H new ATOM 1528 N GLU B 4 4.203 6.371 -0.109 1.00 0.00 N ATOM 1529 CA GLU B 4 5.464 5.659 -0.472 1.00 0.00 C ATOM 1530 C GLU B 4 5.135 4.594 -1.517 1.00 0.00 C ATOM 1531 O GLU B 4 5.870 4.371 -2.457 1.00 0.00 O ATOM 1532 CB GLU B 4 6.059 4.997 0.773 1.00 0.00 C ATOM 1533 CG GLU B 4 5.097 3.927 1.293 1.00 0.00 C ATOM 1534 CD GLU B 4 5.535 3.484 2.691 1.00 0.00 C ATOM 1535 OE1 GLU B 4 6.487 2.726 2.781 1.00 0.00 O ATOM 1536 OE2 GLU B 4 4.911 3.913 3.648 1.00 0.00 O ATOM 0 H GLU B 4 3.847 6.189 0.829 1.00 0.00 H new ATOM 0 HA GLU B 4 6.190 6.365 -0.875 1.00 0.00 H new ATOM 0 HB2 GLU B 4 7.023 4.548 0.533 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.239 5.745 1.545 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.081 4.321 1.326 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.086 3.073 0.616 1.00 0.00 H new ATOM 1543 N LYS B 5 4.022 3.947 -1.351 1.00 0.00 N ATOM 1544 CA LYS B 5 3.594 2.892 -2.311 1.00 0.00 C ATOM 1545 C LYS B 5 3.200 3.531 -3.649 1.00 0.00 C ATOM 1546 O LYS B 5 3.460 2.988 -4.702 1.00 0.00 O ATOM 1547 CB LYS B 5 2.409 2.129 -1.685 1.00 0.00 C ATOM 1548 CG LYS B 5 1.580 1.378 -2.759 1.00 0.00 C ATOM 1549 CD LYS B 5 0.388 2.252 -3.221 1.00 0.00 C ATOM 1550 CE LYS B 5 -0.837 2.011 -2.327 1.00 0.00 C ATOM 1551 NZ LYS B 5 -1.592 0.826 -2.822 1.00 0.00 N ATOM 0 H LYS B 5 3.377 4.105 -0.577 1.00 0.00 H new ATOM 0 HA LYS B 5 4.409 2.196 -2.508 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.782 1.417 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.766 2.829 -1.152 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.213 1.133 -3.612 1.00 0.00 H new ATOM 0 HG3 LYS B 5 1.213 0.435 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS B 5 0.668 3.305 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS B 5 0.140 2.020 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -0.521 1.849 -1.296 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -1.480 2.891 -2.329 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -2.421 0.664 -2.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -1.906 0.997 -3.799 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -0.977 -0.012 -2.798 1.00 0.00 H new ATOM 1565 N ALA B 6 2.547 4.656 -3.613 1.00 0.00 N ATOM 1566 CA ALA B 6 2.108 5.306 -4.877 1.00 0.00 C ATOM 1567 C ALA B 6 3.307 5.798 -5.680 1.00 0.00 C ATOM 1568 O ALA B 6 3.329 5.696 -6.885 1.00 0.00 O ATOM 1569 CB ALA B 6 1.181 6.480 -4.557 1.00 0.00 C ATOM 0 H ALA B 6 2.297 5.156 -2.760 1.00 0.00 H new ATOM 0 HA ALA B 6 1.572 4.570 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.861 6.954 -5.485 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.308 6.117 -4.015 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.713 7.207 -3.943 1.00 0.00 H new ATOM 1575 N MET B 7 4.293 6.340 -5.035 1.00 0.00 N ATOM 1576 CA MET B 7 5.476 6.838 -5.784 1.00 0.00 C ATOM 1577 C MET B 7 6.238 5.662 -6.383 1.00 0.00 C ATOM 1578 O MET B 7 6.742 5.731 -7.485 1.00 0.00 O ATOM 1579 CB MET B 7 6.404 7.623 -4.852 1.00 0.00 C ATOM 1580 CG MET B 7 5.744 8.946 -4.456 1.00 0.00 C ATOM 1581 SD MET B 7 6.890 9.904 -3.431 1.00 0.00 S ATOM 1582 CE MET B 7 6.012 11.486 -3.514 1.00 0.00 C ATOM 0 H MET B 7 4.334 6.461 -4.023 1.00 0.00 H new ATOM 0 HA MET B 7 5.133 7.497 -6.582 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.622 7.034 -3.961 1.00 0.00 H new ATOM 0 HB3 MET B 7 7.355 7.815 -5.348 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.475 9.513 -5.348 1.00 0.00 H new ATOM 0 HG3 MET B 7 4.821 8.756 -3.909 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.392 12.154 -2.742 1.00 0.00 H new ATOM 0 HE2 MET B 7 6.168 11.938 -4.494 1.00 0.00 H new ATOM 0 HE3 MET B 7 4.946 11.319 -3.357 1.00 0.00 H new ATOM 1592 N VAL B 8 6.343 4.590 -5.659 1.00 0.00 N ATOM 1593 CA VAL B 8 7.093 3.416 -6.186 1.00 0.00 C ATOM 1594 C VAL B 8 6.391 2.858 -7.427 1.00 0.00 C ATOM 1595 O VAL B 8 7.025 2.450 -8.376 1.00 0.00 O ATOM 1596 CB VAL B 8 7.170 2.325 -5.115 1.00 0.00 C ATOM 1597 CG1 VAL B 8 7.799 1.065 -5.718 1.00 0.00 C ATOM 1598 CG2 VAL B 8 8.027 2.811 -3.940 1.00 0.00 C ATOM 0 H VAL B 8 5.945 4.472 -4.727 1.00 0.00 H new ATOM 0 HA VAL B 8 8.100 3.735 -6.454 1.00 0.00 H new ATOM 0 HB VAL B 8 6.165 2.099 -4.758 1.00 0.00 H new ATOM 0 HG11 VAL B 8 7.855 0.286 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL B 8 7.188 0.716 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL B 8 8.802 1.295 -6.076 1.00 0.00 H new ATOM 0 HG21 VAL B 8 8.079 2.031 -3.180 1.00 0.00 H new ATOM 0 HG22 VAL B 8 9.032 3.041 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL B 8 7.580 3.707 -3.510 1.00 0.00 H new ATOM 1608 N ALA B 9 5.088 2.812 -7.411 1.00 0.00 N ATOM 1609 CA ALA B 9 4.341 2.252 -8.581 1.00 0.00 C ATOM 1610 C ALA B 9 4.411 3.214 -9.761 1.00 0.00 C ATOM 1611 O ALA B 9 4.488 2.812 -10.904 1.00 0.00 O ATOM 1612 CB ALA B 9 2.884 2.022 -8.189 1.00 0.00 C ATOM 0 H ALA B 9 4.505 3.137 -6.640 1.00 0.00 H new ATOM 0 HA ALA B 9 4.795 1.305 -8.874 1.00 0.00 H new ATOM 0 HB1 ALA B 9 2.338 1.614 -9.040 1.00 0.00 H new ATOM 0 HB2 ALA B 9 2.838 1.319 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA B 9 2.434 2.969 -7.889 1.00 0.00 H new ATOM 1618 N LEU B 10 4.378 4.477 -9.488 1.00 0.00 N ATOM 1619 CA LEU B 10 4.434 5.477 -10.578 1.00 0.00 C ATOM 1620 C LEU B 10 5.748 5.265 -11.328 1.00 0.00 C ATOM 1621 O LEU B 10 5.818 5.333 -12.539 1.00 0.00 O ATOM 1622 CB LEU B 10 4.398 6.881 -9.944 1.00 0.00 C ATOM 1623 CG LEU B 10 3.755 7.904 -10.915 1.00 0.00 C ATOM 1624 CD1 LEU B 10 2.256 8.041 -10.607 1.00 0.00 C ATOM 1625 CD2 LEU B 10 4.423 9.275 -10.752 1.00 0.00 C ATOM 0 H LEU B 10 4.314 4.866 -8.547 1.00 0.00 H new ATOM 0 HA LEU B 10 3.596 5.375 -11.267 1.00 0.00 H new ATOM 0 HB2 LEU B 10 3.832 6.851 -9.013 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.410 7.198 -9.692 1.00 0.00 H new ATOM 0 HG LEU B 10 3.892 7.550 -11.937 1.00 0.00 H new ATOM 0 HD11 LEU B 10 1.808 8.761 -11.292 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.770 7.073 -10.729 1.00 0.00 H new ATOM 0 HD13 LEU B 10 2.125 8.386 -9.581 1.00 0.00 H new ATOM 0 HD21 LEU B 10 3.965 9.987 -11.438 1.00 0.00 H new ATOM 0 HD22 LEU B 10 4.293 9.623 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU B 10 5.487 9.190 -10.974 1.00 0.00 H new ATOM 1637 N ILE B 11 6.783 4.997 -10.591 1.00 0.00 N ATOM 1638 CA ILE B 11 8.116 4.757 -11.194 1.00 0.00 C ATOM 1639 C ILE B 11 8.118 3.428 -11.965 1.00 0.00 C ATOM 1640 O ILE B 11 8.746 3.305 -12.995 1.00 0.00 O ATOM 1641 CB ILE B 11 9.165 4.735 -10.074 1.00 0.00 C ATOM 1642 CG1 ILE B 11 9.319 6.161 -9.523 1.00 0.00 C ATOM 1643 CG2 ILE B 11 10.505 4.242 -10.620 1.00 0.00 C ATOM 1644 CD1 ILE B 11 10.207 6.178 -8.269 1.00 0.00 C ATOM 0 H ILE B 11 6.760 4.933 -9.573 1.00 0.00 H new ATOM 0 HA ILE B 11 8.354 5.554 -11.899 1.00 0.00 H new ATOM 0 HB ILE B 11 8.845 4.060 -9.280 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.753 6.805 -10.288 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.337 6.569 -9.282 1.00 0.00 H new ATOM 0 HG21 ILE B 11 11.243 4.230 -9.818 1.00 0.00 H new ATOM 0 HG22 ILE B 11 10.387 3.235 -11.019 1.00 0.00 H new ATOM 0 HG23 ILE B 11 10.842 4.909 -11.413 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.298 7.200 -7.901 1.00 0.00 H new ATOM 0 HD12 ILE B 11 9.758 5.553 -7.497 1.00 0.00 H new ATOM 0 HD13 ILE B 11 11.196 5.793 -8.518 1.00 0.00 H new ATOM 1656 N ASP B 12 7.449 2.425 -11.460 1.00 0.00 N ATOM 1657 CA ASP B 12 7.444 1.099 -12.153 1.00 0.00 C ATOM 1658 C ASP B 12 6.863 1.217 -13.572 1.00 0.00 C ATOM 1659 O ASP B 12 7.370 0.628 -14.505 1.00 0.00 O ATOM 1660 CB ASP B 12 6.590 0.120 -11.341 1.00 0.00 C ATOM 1661 CG ASP B 12 6.565 -1.253 -12.024 1.00 0.00 C ATOM 1662 OD1 ASP B 12 6.974 -1.339 -13.169 1.00 0.00 O ATOM 1663 OD2 ASP B 12 6.135 -2.199 -11.384 1.00 0.00 O ATOM 0 H ASP B 12 6.905 2.465 -10.598 1.00 0.00 H new ATOM 0 HA ASP B 12 8.471 0.742 -12.231 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.992 0.025 -10.332 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.575 0.505 -11.245 1.00 0.00 H new ATOM 1668 N VAL B 13 5.791 1.941 -13.738 1.00 0.00 N ATOM 1669 CA VAL B 13 5.167 2.054 -15.097 1.00 0.00 C ATOM 1670 C VAL B 13 6.092 2.830 -16.059 1.00 0.00 C ATOM 1671 O VAL B 13 6.264 2.458 -17.211 1.00 0.00 O ATOM 1672 CB VAL B 13 3.772 2.747 -14.944 1.00 0.00 C ATOM 1673 CG1 VAL B 13 3.665 4.033 -15.784 1.00 0.00 C ATOM 1674 CG2 VAL B 13 2.648 1.786 -15.372 1.00 0.00 C ATOM 0 H VAL B 13 5.318 2.459 -12.998 1.00 0.00 H new ATOM 0 HA VAL B 13 5.026 1.064 -15.530 1.00 0.00 H new ATOM 0 HB VAL B 13 3.667 3.012 -13.892 1.00 0.00 H new ATOM 0 HG11 VAL B 13 2.680 4.478 -15.645 1.00 0.00 H new ATOM 0 HG12 VAL B 13 4.431 4.740 -15.465 1.00 0.00 H new ATOM 0 HG13 VAL B 13 3.809 3.793 -16.837 1.00 0.00 H new ATOM 0 HG21 VAL B 13 1.684 2.281 -15.260 1.00 0.00 H new ATOM 0 HG22 VAL B 13 2.791 1.500 -16.414 1.00 0.00 H new ATOM 0 HG23 VAL B 13 2.673 0.895 -14.745 1.00 0.00 H new ATOM 1684 N PHE B 14 6.675 3.903 -15.610 1.00 0.00 N ATOM 1685 CA PHE B 14 7.559 4.692 -16.511 1.00 0.00 C ATOM 1686 C PHE B 14 8.705 3.811 -16.986 1.00 0.00 C ATOM 1687 O PHE B 14 9.107 3.873 -18.119 1.00 0.00 O ATOM 1688 CB PHE B 14 8.124 5.901 -15.758 1.00 0.00 C ATOM 1689 CG PHE B 14 9.025 6.705 -16.672 1.00 0.00 C ATOM 1690 CD1 PHE B 14 10.387 6.392 -16.773 1.00 0.00 C ATOM 1691 CD2 PHE B 14 8.498 7.771 -17.413 1.00 0.00 C ATOM 1692 CE1 PHE B 14 11.219 7.142 -17.614 1.00 0.00 C ATOM 1693 CE2 PHE B 14 9.331 8.520 -18.253 1.00 0.00 C ATOM 1694 CZ PHE B 14 10.691 8.206 -18.354 1.00 0.00 C ATOM 0 H PHE B 14 6.579 4.268 -14.662 1.00 0.00 H new ATOM 0 HA PHE B 14 6.982 5.041 -17.368 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.309 6.527 -15.395 1.00 0.00 H new ATOM 0 HB3 PHE B 14 8.683 5.567 -14.884 1.00 0.00 H new ATOM 0 HD1 PHE B 14 10.796 5.572 -16.202 1.00 0.00 H new ATOM 0 HD2 PHE B 14 7.449 8.015 -17.336 1.00 0.00 H new ATOM 0 HE1 PHE B 14 12.268 6.899 -17.691 1.00 0.00 H new ATOM 0 HE2 PHE B 14 8.923 9.341 -18.824 1.00 0.00 H new ATOM 0 HZ PHE B 14 11.333 8.784 -19.002 1.00 0.00 H new ATOM 1704 N HIS B 15 9.237 3.004 -16.120 1.00 0.00 N ATOM 1705 CA HIS B 15 10.366 2.114 -16.507 1.00 0.00 C ATOM 1706 C HIS B 15 9.957 1.166 -17.634 1.00 0.00 C ATOM 1707 O HIS B 15 10.753 0.834 -18.489 1.00 0.00 O ATOM 1708 CB HIS B 15 10.821 1.302 -15.294 1.00 0.00 C ATOM 1709 CG HIS B 15 11.946 0.390 -15.698 1.00 0.00 C ATOM 1710 ND1 HIS B 15 13.139 0.868 -16.225 1.00 0.00 N ATOM 1711 CD2 HIS B 15 12.072 -0.977 -15.663 1.00 0.00 C ATOM 1712 CE1 HIS B 15 13.922 -0.197 -16.485 1.00 0.00 C ATOM 1713 NE2 HIS B 15 13.318 -1.341 -16.159 1.00 0.00 N ATOM 0 H HIS B 15 8.937 2.920 -15.149 1.00 0.00 H new ATOM 0 HA HIS B 15 11.186 2.737 -16.863 1.00 0.00 H new ATOM 0 HB2 HIS B 15 11.148 1.970 -14.497 1.00 0.00 H new ATOM 0 HB3 HIS B 15 9.989 0.719 -14.900 1.00 0.00 H new ATOM 0 HD2 HIS B 15 11.319 -1.663 -15.305 1.00 0.00 H new ATOM 0 HE1 HIS B 15 14.915 -0.133 -16.905 1.00 0.00 H new ATOM 0 HE2 HIS B 15 13.692 -2.285 -16.254 1.00 0.00 H new ATOM 1722 N GLN B 16 8.742 0.697 -17.635 1.00 0.00 N ATOM 1723 CA GLN B 16 8.327 -0.258 -18.697 1.00 0.00 C ATOM 1724 C GLN B 16 8.466 0.377 -20.087 1.00 0.00 C ATOM 1725 O GLN B 16 8.865 -0.281 -21.027 1.00 0.00 O ATOM 1726 CB GLN B 16 6.869 -0.669 -18.473 1.00 0.00 C ATOM 1727 CG GLN B 16 6.766 -1.555 -17.228 1.00 0.00 C ATOM 1728 CD GLN B 16 7.412 -2.912 -17.515 1.00 0.00 C ATOM 1729 OE1 GLN B 16 8.278 -3.354 -16.786 1.00 0.00 O ATOM 1730 NE2 GLN B 16 7.024 -3.597 -18.557 1.00 0.00 N ATOM 0 H GLN B 16 8.023 0.932 -16.951 1.00 0.00 H new ATOM 0 HA GLN B 16 8.975 -1.133 -18.646 1.00 0.00 H new ATOM 0 HB2 GLN B 16 6.246 0.217 -18.353 1.00 0.00 H new ATOM 0 HB3 GLN B 16 6.495 -1.206 -19.345 1.00 0.00 H new ATOM 0 HG2 GLN B 16 7.262 -1.075 -16.384 1.00 0.00 H new ATOM 0 HG3 GLN B 16 5.721 -1.689 -16.949 1.00 0.00 H new ATOM 0 HE21 GLN B 16 6.297 -3.226 -19.169 1.00 0.00 H new ATOM 0 HE22 GLN B 16 7.448 -4.503 -18.759 1.00 0.00 H new ATOM 1739 N TYR B 17 8.124 1.631 -20.246 1.00 0.00 N ATOM 1740 CA TYR B 17 8.227 2.260 -21.612 1.00 0.00 C ATOM 1741 C TYR B 17 9.585 2.938 -21.836 1.00 0.00 C ATOM 1742 O TYR B 17 10.027 3.087 -22.957 1.00 0.00 O ATOM 1743 CB TYR B 17 7.109 3.294 -21.775 1.00 0.00 C ATOM 1744 CG TYR B 17 5.817 2.566 -22.037 1.00 0.00 C ATOM 1745 CD1 TYR B 17 5.146 1.948 -20.982 1.00 0.00 C ATOM 1746 CD2 TYR B 17 5.308 2.487 -23.338 1.00 0.00 C ATOM 1747 CE1 TYR B 17 3.962 1.253 -21.221 1.00 0.00 C ATOM 1748 CE2 TYR B 17 4.124 1.787 -23.583 1.00 0.00 C ATOM 1749 CZ TYR B 17 3.447 1.168 -22.522 1.00 0.00 C ATOM 1750 OH TYR B 17 2.278 0.474 -22.756 1.00 0.00 O ATOM 0 H TYR B 17 7.782 2.244 -19.506 1.00 0.00 H new ATOM 0 HA TYR B 17 8.129 1.467 -22.353 1.00 0.00 H new ATOM 0 HB2 TYR B 17 7.024 3.904 -20.876 1.00 0.00 H new ATOM 0 HB3 TYR B 17 7.336 3.970 -22.599 1.00 0.00 H new ATOM 0 HD1 TYR B 17 5.544 2.008 -19.980 1.00 0.00 H new ATOM 0 HD2 TYR B 17 5.830 2.967 -24.152 1.00 0.00 H new ATOM 0 HE1 TYR B 17 3.440 0.779 -20.403 1.00 0.00 H new ATOM 0 HE2 TYR B 17 3.731 1.723 -24.587 1.00 0.00 H new ATOM 0 HH TYR B 17 1.706 0.519 -21.961 1.00 0.00 H new ATOM 1760 N SER B 18 10.241 3.363 -20.801 1.00 0.00 N ATOM 1761 CA SER B 18 11.553 4.042 -20.990 1.00 0.00 C ATOM 1762 C SER B 18 12.527 3.081 -21.670 1.00 0.00 C ATOM 1763 O SER B 18 13.285 3.458 -22.542 1.00 0.00 O ATOM 1764 CB SER B 18 12.110 4.470 -19.630 1.00 0.00 C ATOM 1765 OG SER B 18 13.096 5.475 -19.825 1.00 0.00 O ATOM 0 H SER B 18 9.931 3.272 -19.834 1.00 0.00 H new ATOM 0 HA SER B 18 11.421 4.925 -21.615 1.00 0.00 H new ATOM 0 HB2 SER B 18 11.307 4.849 -18.998 1.00 0.00 H new ATOM 0 HB3 SER B 18 12.544 3.613 -19.115 1.00 0.00 H new ATOM 0 HG SER B 18 13.714 5.479 -19.065 1.00 0.00 H new ATOM 1771 N GLY B 19 12.509 1.841 -21.272 1.00 0.00 N ATOM 1772 CA GLY B 19 13.427 0.838 -21.884 1.00 0.00 C ATOM 1773 C GLY B 19 12.826 0.302 -23.187 1.00 0.00 C ATOM 1774 O GLY B 19 13.045 -0.835 -23.553 1.00 0.00 O ATOM 0 H GLY B 19 11.895 1.475 -20.545 1.00 0.00 H new ATOM 0 HA2 GLY B 19 14.397 1.294 -22.082 1.00 0.00 H new ATOM 0 HA3 GLY B 19 13.597 0.017 -21.188 1.00 0.00 H new ATOM 1778 N ARG B 20 12.060 1.097 -23.887 1.00 0.00 N ATOM 1779 CA ARG B 20 11.449 0.597 -25.153 1.00 0.00 C ATOM 1780 C ARG B 20 12.542 0.311 -26.185 1.00 0.00 C ATOM 1781 O ARG B 20 12.705 -0.805 -26.636 1.00 0.00 O ATOM 1782 CB ARG B 20 10.481 1.674 -25.703 1.00 0.00 C ATOM 1783 CG ARG B 20 9.026 1.307 -25.382 1.00 0.00 C ATOM 1784 CD ARG B 20 8.528 0.261 -26.381 1.00 0.00 C ATOM 1785 NE ARG B 20 7.063 0.057 -26.203 1.00 0.00 N ATOM 1786 CZ ARG B 20 6.373 -0.548 -27.131 1.00 0.00 C ATOM 1787 NH1 ARG B 20 6.962 -0.950 -28.225 1.00 0.00 N ATOM 1788 NH2 ARG B 20 5.095 -0.751 -26.967 1.00 0.00 N ATOM 0 H ARG B 20 11.833 2.060 -23.640 1.00 0.00 H new ATOM 0 HA ARG B 20 10.903 -0.326 -24.955 1.00 0.00 H new ATOM 0 HB2 ARG B 20 10.722 2.644 -25.267 1.00 0.00 H new ATOM 0 HB3 ARG B 20 10.608 1.769 -26.781 1.00 0.00 H new ATOM 0 HG2 ARG B 20 8.954 0.918 -24.366 1.00 0.00 H new ATOM 0 HG3 ARG B 20 8.397 2.196 -25.428 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.739 0.587 -27.400 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.057 -0.680 -26.232 1.00 0.00 H new ATOM 0 HE ARG B 20 6.600 0.390 -25.357 1.00 0.00 H new ATOM 0 HH11 ARG B 20 7.961 -0.791 -28.354 1.00 0.00 H new ATOM 0 HH12 ARG B 20 6.423 -1.423 -28.950 1.00 0.00 H new ATOM 0 HH21 ARG B 20 4.634 -0.437 -26.113 1.00 0.00 H new ATOM 0 HH22 ARG B 20 4.556 -1.224 -27.693 1.00 0.00 H new ATOM 1802 N GLU B 21 13.289 1.312 -26.556 1.00 0.00 N ATOM 1803 CA GLU B 21 14.382 1.119 -27.561 1.00 0.00 C ATOM 1804 C GLU B 21 15.731 1.189 -26.851 1.00 0.00 C ATOM 1805 O GLU B 21 16.744 0.781 -27.384 1.00 0.00 O ATOM 1806 CB GLU B 21 14.302 2.220 -28.621 1.00 0.00 C ATOM 1807 CG GLU B 21 15.312 1.932 -29.734 1.00 0.00 C ATOM 1808 CD GLU B 21 15.130 2.944 -30.866 1.00 0.00 C ATOM 1809 OE1 GLU B 21 14.249 3.780 -30.750 1.00 0.00 O ATOM 1810 OE2 GLU B 21 15.875 2.867 -31.829 1.00 0.00 O ATOM 0 H GLU B 21 13.192 2.265 -26.206 1.00 0.00 H new ATOM 0 HA GLU B 21 14.271 0.148 -28.043 1.00 0.00 H new ATOM 0 HB2 GLU B 21 13.294 2.269 -29.034 1.00 0.00 H new ATOM 0 HB3 GLU B 21 14.509 3.190 -28.169 1.00 0.00 H new ATOM 0 HG2 GLU B 21 16.327 1.989 -29.341 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.173 0.919 -30.112 1.00 0.00 H new ATOM 1817 N GLY B 22 15.750 1.699 -25.645 1.00 0.00 N ATOM 1818 CA GLY B 22 17.029 1.800 -24.879 1.00 0.00 C ATOM 1819 C GLY B 22 17.162 3.201 -24.282 1.00 0.00 C ATOM 1820 O GLY B 22 18.118 3.496 -23.593 1.00 0.00 O ATOM 0 H GLY B 22 14.928 2.052 -25.155 1.00 0.00 H new ATOM 0 HA2 GLY B 22 17.049 1.053 -24.086 1.00 0.00 H new ATOM 0 HA3 GLY B 22 17.874 1.592 -25.535 1.00 0.00 H new ATOM 1824 N ASP B 23 16.219 4.074 -24.532 1.00 0.00 N ATOM 1825 CA ASP B 23 16.320 5.442 -23.964 1.00 0.00 C ATOM 1826 C ASP B 23 15.831 5.407 -22.512 1.00 0.00 C ATOM 1827 O ASP B 23 14.802 5.954 -22.177 1.00 0.00 O ATOM 1828 CB ASP B 23 15.446 6.385 -24.789 1.00 0.00 C ATOM 1829 CG ASP B 23 16.037 6.532 -26.193 1.00 0.00 C ATOM 1830 OD1 ASP B 23 17.232 6.327 -26.336 1.00 0.00 O ATOM 1831 OD2 ASP B 23 15.286 6.849 -27.100 1.00 0.00 O ATOM 0 H ASP B 23 15.391 3.896 -25.101 1.00 0.00 H new ATOM 0 HA ASP B 23 17.351 5.794 -23.991 1.00 0.00 H new ATOM 0 HB2 ASP B 23 14.430 5.996 -24.850 1.00 0.00 H new ATOM 0 HB3 ASP B 23 15.386 7.359 -24.304 1.00 0.00 H new ATOM 1836 N LYS B 24 16.559 4.745 -21.653 1.00 0.00 N ATOM 1837 CA LYS B 24 16.138 4.655 -20.225 1.00 0.00 C ATOM 1838 C LYS B 24 16.285 6.019 -19.536 1.00 0.00 C ATOM 1839 O LYS B 24 15.468 6.408 -18.725 1.00 0.00 O ATOM 1840 CB LYS B 24 17.019 3.629 -19.502 1.00 0.00 C ATOM 1841 CG LYS B 24 16.710 2.228 -20.036 1.00 0.00 C ATOM 1842 CD LYS B 24 17.565 1.187 -19.299 1.00 0.00 C ATOM 1843 CE LYS B 24 19.042 1.318 -19.700 1.00 0.00 C ATOM 1844 NZ LYS B 24 19.740 0.023 -19.448 1.00 0.00 N ATOM 0 H LYS B 24 17.428 4.262 -21.879 1.00 0.00 H new ATOM 0 HA LYS B 24 15.093 4.348 -20.184 1.00 0.00 H new ATOM 0 HB2 LYS B 24 18.072 3.865 -19.656 1.00 0.00 H new ATOM 0 HB3 LYS B 24 16.837 3.669 -18.428 1.00 0.00 H new ATOM 0 HG2 LYS B 24 15.652 2.003 -19.901 1.00 0.00 H new ATOM 0 HG3 LYS B 24 16.911 2.185 -21.106 1.00 0.00 H new ATOM 0 HD2 LYS B 24 17.462 1.320 -18.222 1.00 0.00 H new ATOM 0 HD3 LYS B 24 17.207 0.184 -19.532 1.00 0.00 H new ATOM 0 HE2 LYS B 24 19.122 1.588 -20.753 1.00 0.00 H new ATOM 0 HE3 LYS B 24 19.516 2.117 -19.129 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 20.740 0.109 -19.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 19.674 -0.216 -18.438 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 19.292 -0.728 -20.011 1.00 0.00 H new ATOM 1858 N HIS B 25 17.340 6.733 -19.830 1.00 0.00 N ATOM 1859 CA HIS B 25 17.568 8.056 -19.171 1.00 0.00 C ATOM 1860 C HIS B 25 16.735 9.162 -19.829 1.00 0.00 C ATOM 1861 O HIS B 25 16.606 10.245 -19.291 1.00 0.00 O ATOM 1862 CB HIS B 25 19.050 8.414 -19.281 1.00 0.00 C ATOM 1863 CG HIS B 25 19.862 7.419 -18.499 1.00 0.00 C ATOM 1864 ND1 HIS B 25 20.517 6.358 -19.110 1.00 0.00 N ATOM 1865 CD2 HIS B 25 20.132 7.305 -17.158 1.00 0.00 C ATOM 1866 CE1 HIS B 25 21.142 5.658 -18.146 1.00 0.00 C ATOM 1867 NE2 HIS B 25 20.939 6.194 -16.941 1.00 0.00 N ATOM 0 H HIS B 25 18.057 6.457 -20.501 1.00 0.00 H new ATOM 0 HA HIS B 25 17.265 7.977 -18.127 1.00 0.00 H new ATOM 0 HB2 HIS B 25 19.360 8.412 -20.326 1.00 0.00 H new ATOM 0 HB3 HIS B 25 19.222 9.421 -18.900 1.00 0.00 H new ATOM 0 HD2 HIS B 25 19.773 7.975 -16.390 1.00 0.00 H new ATOM 0 HE1 HIS B 25 21.734 4.773 -18.325 1.00 0.00 H new ATOM 0 HE2 HIS B 25 21.300 5.859 -16.048 1.00 0.00 H new ATOM 1876 N LYS B 26 16.184 8.919 -20.989 1.00 0.00 N ATOM 1877 CA LYS B 26 15.379 9.980 -21.677 1.00 0.00 C ATOM 1878 C LYS B 26 14.187 9.339 -22.386 1.00 0.00 C ATOM 1879 O LYS B 26 14.144 8.148 -22.586 1.00 0.00 O ATOM 1880 CB LYS B 26 16.276 10.715 -22.680 1.00 0.00 C ATOM 1881 CG LYS B 26 16.803 9.734 -23.733 1.00 0.00 C ATOM 1882 CD LYS B 26 18.038 10.324 -24.420 1.00 0.00 C ATOM 1883 CE LYS B 26 18.428 9.448 -25.612 1.00 0.00 C ATOM 1884 NZ LYS B 26 19.735 9.908 -26.163 1.00 0.00 N ATOM 0 H LYS B 26 16.254 8.034 -21.492 1.00 0.00 H new ATOM 0 HA LYS B 26 15.001 10.697 -20.948 1.00 0.00 H new ATOM 0 HB2 LYS B 26 15.714 11.514 -23.165 1.00 0.00 H new ATOM 0 HB3 LYS B 26 17.111 11.183 -22.158 1.00 0.00 H new ATOM 0 HG2 LYS B 26 17.056 8.784 -23.263 1.00 0.00 H new ATOM 0 HG3 LYS B 26 16.028 9.528 -24.472 1.00 0.00 H new ATOM 0 HD2 LYS B 26 17.830 11.340 -24.755 1.00 0.00 H new ATOM 0 HD3 LYS B 26 18.866 10.384 -23.714 1.00 0.00 H new ATOM 0 HE2 LYS B 26 18.499 8.405 -25.302 1.00 0.00 H new ATOM 0 HE3 LYS B 26 17.658 9.500 -26.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 19.999 9.312 -26.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 19.652 10.897 -26.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 20.467 9.836 -25.427 1.00 0.00 H new ATOM 1898 N LEU B 27 13.197 10.121 -22.733 1.00 0.00 N ATOM 1899 CA LEU B 27 11.980 9.560 -23.403 1.00 0.00 C ATOM 1900 C LEU B 27 11.649 10.414 -24.630 1.00 0.00 C ATOM 1901 O LEU B 27 11.318 11.573 -24.504 1.00 0.00 O ATOM 1902 CB LEU B 27 10.826 9.620 -22.396 1.00 0.00 C ATOM 1903 CG LEU B 27 9.665 8.714 -22.843 1.00 0.00 C ATOM 1904 CD1 LEU B 27 9.952 7.251 -22.466 1.00 0.00 C ATOM 1905 CD2 LEU B 27 8.373 9.168 -22.152 1.00 0.00 C ATOM 0 H LEU B 27 13.177 11.129 -22.581 1.00 0.00 H new ATOM 0 HA LEU B 27 12.146 8.532 -23.724 1.00 0.00 H new ATOM 0 HB2 LEU B 27 11.179 9.309 -21.413 1.00 0.00 H new ATOM 0 HB3 LEU B 27 10.475 10.647 -22.298 1.00 0.00 H new ATOM 0 HG LEU B 27 9.557 8.787 -23.925 1.00 0.00 H new ATOM 0 HD11 LEU B 27 9.122 6.623 -22.789 1.00 0.00 H new ATOM 0 HD12 LEU B 27 10.868 6.922 -22.956 1.00 0.00 H new ATOM 0 HD13 LEU B 27 10.070 7.170 -21.385 1.00 0.00 H new ATOM 0 HD21 LEU B 27 7.548 8.528 -22.466 1.00 0.00 H new ATOM 0 HD22 LEU B 27 8.495 9.098 -21.071 1.00 0.00 H new ATOM 0 HD23 LEU B 27 8.157 10.200 -22.427 1.00 0.00 H new ATOM 1917 N LYS B 28 11.737 9.867 -25.818 1.00 0.00 N ATOM 1918 CA LYS B 28 11.436 10.691 -27.023 1.00 0.00 C ATOM 1919 C LYS B 28 9.933 10.804 -27.229 1.00 0.00 C ATOM 1920 O LYS B 28 9.170 9.951 -26.818 1.00 0.00 O ATOM 1921 CB LYS B 28 12.043 10.037 -28.266 1.00 0.00 C ATOM 1922 CG LYS B 28 13.556 9.931 -28.105 1.00 0.00 C ATOM 1923 CD LYS B 28 14.158 9.282 -29.355 1.00 0.00 C ATOM 1924 CE LYS B 28 15.676 9.173 -29.198 1.00 0.00 C ATOM 1925 NZ LYS B 28 16.296 10.505 -29.450 1.00 0.00 N ATOM 0 H LYS B 28 12.001 8.899 -26.001 1.00 0.00 H new ATOM 0 HA LYS B 28 11.862 11.683 -26.871 1.00 0.00 H new ATOM 0 HB2 LYS B 28 11.613 9.046 -28.414 1.00 0.00 H new ATOM 0 HB3 LYS B 28 11.802 10.624 -29.152 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.987 10.921 -27.953 1.00 0.00 H new ATOM 0 HG3 LYS B 28 13.798 9.339 -27.222 1.00 0.00 H new ATOM 0 HD2 LYS B 28 13.726 8.293 -29.507 1.00 0.00 H new ATOM 0 HD3 LYS B 28 13.915 9.875 -30.237 1.00 0.00 H new ATOM 0 HE2 LYS B 28 15.925 8.827 -28.195 1.00 0.00 H new ATOM 0 HE3 LYS B 28 16.073 8.437 -29.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 17.332 10.419 -29.411 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 16.012 10.848 -30.390 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 15.977 11.179 -28.725 1.00 0.00 H new ATOM 1939 N LYS B 29 9.502 11.842 -27.900 1.00 0.00 N ATOM 1940 CA LYS B 29 8.052 12.000 -28.176 1.00 0.00 C ATOM 1941 C LYS B 29 7.542 10.677 -28.737 1.00 0.00 C ATOM 1942 O LYS B 29 6.366 10.373 -28.706 1.00 0.00 O ATOM 1943 CB LYS B 29 7.843 13.112 -29.218 1.00 0.00 C ATOM 1944 CG LYS B 29 8.352 12.672 -30.597 1.00 0.00 C ATOM 1945 CD LYS B 29 8.289 13.860 -31.559 1.00 0.00 C ATOM 1946 CE LYS B 29 8.566 13.372 -32.983 1.00 0.00 C ATOM 1947 NZ LYS B 29 8.355 14.490 -33.943 1.00 0.00 N ATOM 0 H LYS B 29 10.097 12.585 -28.267 1.00 0.00 H new ATOM 0 HA LYS B 29 7.515 12.266 -27.265 1.00 0.00 H new ATOM 0 HB2 LYS B 29 6.784 13.364 -29.280 1.00 0.00 H new ATOM 0 HB3 LYS B 29 8.367 14.014 -28.903 1.00 0.00 H new ATOM 0 HG2 LYS B 29 9.375 12.305 -30.520 1.00 0.00 H new ATOM 0 HG3 LYS B 29 7.746 11.849 -30.976 1.00 0.00 H new ATOM 0 HD2 LYS B 29 7.308 14.332 -31.508 1.00 0.00 H new ATOM 0 HD3 LYS B 29 9.021 14.615 -31.272 1.00 0.00 H new ATOM 0 HE2 LYS B 29 9.588 13.002 -33.059 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.906 12.539 -33.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 8.543 14.157 -34.910 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.372 14.823 -33.877 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 9.002 15.271 -33.714 1.00 0.00 H new ATOM 1961 N SER B 30 8.446 9.902 -29.265 1.00 0.00 N ATOM 1962 CA SER B 30 8.058 8.591 -29.859 1.00 0.00 C ATOM 1963 C SER B 30 7.782 7.579 -28.750 1.00 0.00 C ATOM 1964 O SER B 30 6.752 6.933 -28.733 1.00 0.00 O ATOM 1965 CB SER B 30 9.190 8.083 -30.749 1.00 0.00 C ATOM 1966 OG SER B 30 10.316 7.767 -29.942 1.00 0.00 O ATOM 0 H SER B 30 9.441 10.120 -29.312 1.00 0.00 H new ATOM 0 HA SER B 30 7.155 8.719 -30.456 1.00 0.00 H new ATOM 0 HB2 SER B 30 8.866 7.202 -31.302 1.00 0.00 H new ATOM 0 HB3 SER B 30 9.457 8.841 -31.485 1.00 0.00 H new ATOM 0 HG SER B 30 11.044 7.439 -30.510 1.00 0.00 H new ATOM 1972 N GLU B 31 8.675 7.444 -27.809 1.00 0.00 N ATOM 1973 CA GLU B 31 8.423 6.485 -26.702 1.00 0.00 C ATOM 1974 C GLU B 31 7.289 7.040 -25.846 1.00 0.00 C ATOM 1975 O GLU B 31 6.516 6.307 -25.267 1.00 0.00 O ATOM 1976 CB GLU B 31 9.688 6.303 -25.863 1.00 0.00 C ATOM 1977 CG GLU B 31 10.729 5.535 -26.681 1.00 0.00 C ATOM 1978 CD GLU B 31 12.029 5.426 -25.884 1.00 0.00 C ATOM 1979 OE1 GLU B 31 12.066 5.936 -24.777 1.00 0.00 O ATOM 1980 OE2 GLU B 31 12.965 4.835 -26.394 1.00 0.00 O ATOM 0 H GLU B 31 9.559 7.951 -27.760 1.00 0.00 H new ATOM 0 HA GLU B 31 8.145 5.510 -27.102 1.00 0.00 H new ATOM 0 HB2 GLU B 31 10.085 7.274 -25.567 1.00 0.00 H new ATOM 0 HB3 GLU B 31 9.456 5.761 -24.947 1.00 0.00 H new ATOM 0 HG2 GLU B 31 10.355 4.540 -26.923 1.00 0.00 H new ATOM 0 HG3 GLU B 31 10.912 6.045 -27.627 1.00 0.00 H new ATOM 1987 N LEU B 32 7.178 8.338 -25.783 1.00 0.00 N ATOM 1988 CA LEU B 32 6.085 8.965 -24.989 1.00 0.00 C ATOM 1989 C LEU B 32 4.744 8.504 -25.548 1.00 0.00 C ATOM 1990 O LEU B 32 3.845 8.169 -24.819 1.00 0.00 O ATOM 1991 CB LEU B 32 6.189 10.488 -25.126 1.00 0.00 C ATOM 1992 CG LEU B 32 4.986 11.189 -24.476 1.00 0.00 C ATOM 1993 CD1 LEU B 32 4.839 10.761 -23.012 1.00 0.00 C ATOM 1994 CD2 LEU B 32 5.209 12.704 -24.542 1.00 0.00 C ATOM 0 H LEU B 32 7.802 8.995 -26.251 1.00 0.00 H new ATOM 0 HA LEU B 32 6.168 8.679 -23.941 1.00 0.00 H new ATOM 0 HB2 LEU B 32 7.111 10.835 -24.660 1.00 0.00 H new ATOM 0 HB3 LEU B 32 6.244 10.758 -26.181 1.00 0.00 H new ATOM 0 HG LEU B 32 4.077 10.913 -25.010 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.982 11.268 -22.569 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.689 9.683 -22.962 1.00 0.00 H new ATOM 0 HD13 LEU B 32 5.742 11.028 -22.463 1.00 0.00 H new ATOM 0 HD21 LEU B 32 4.363 13.217 -24.084 1.00 0.00 H new ATOM 0 HD22 LEU B 32 6.122 12.961 -24.006 1.00 0.00 H new ATOM 0 HD23 LEU B 32 5.300 13.013 -25.583 1.00 0.00 H new ATOM 2006 N LYS B 33 4.608 8.498 -26.841 1.00 0.00 N ATOM 2007 CA LYS B 33 3.319 8.067 -27.463 1.00 0.00 C ATOM 2008 C LYS B 33 2.988 6.625 -27.075 1.00 0.00 C ATOM 2009 O LYS B 33 1.848 6.287 -26.827 1.00 0.00 O ATOM 2010 CB LYS B 33 3.453 8.164 -28.983 1.00 0.00 C ATOM 2011 CG LYS B 33 2.115 7.825 -29.641 1.00 0.00 C ATOM 2012 CD LYS B 33 2.247 7.963 -31.155 1.00 0.00 C ATOM 2013 CE LYS B 33 0.909 7.633 -31.817 1.00 0.00 C ATOM 2014 NZ LYS B 33 0.690 6.160 -31.782 1.00 0.00 N ATOM 0 H LYS B 33 5.335 8.774 -27.501 1.00 0.00 H new ATOM 0 HA LYS B 33 2.516 8.714 -27.108 1.00 0.00 H new ATOM 0 HB2 LYS B 33 3.764 9.169 -29.267 1.00 0.00 H new ATOM 0 HB3 LYS B 33 4.226 7.480 -29.334 1.00 0.00 H new ATOM 0 HG2 LYS B 33 1.816 6.809 -29.382 1.00 0.00 H new ATOM 0 HG3 LYS B 33 1.336 8.491 -29.270 1.00 0.00 H new ATOM 0 HD2 LYS B 33 2.552 8.977 -31.413 1.00 0.00 H new ATOM 0 HD3 LYS B 33 3.023 7.293 -31.525 1.00 0.00 H new ATOM 0 HE2 LYS B 33 0.098 8.145 -31.299 1.00 0.00 H new ATOM 0 HE3 LYS B 33 0.903 7.988 -32.847 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -0.118 5.915 -32.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 1.542 5.674 -32.127 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 0.493 5.861 -30.805 1.00 0.00 H new ATOM 2028 N GLU B 34 3.965 5.769 -27.038 1.00 0.00 N ATOM 2029 CA GLU B 34 3.696 4.355 -26.691 1.00 0.00 C ATOM 2030 C GLU B 34 3.193 4.275 -25.255 1.00 0.00 C ATOM 2031 O GLU B 34 2.295 3.533 -24.947 1.00 0.00 O ATOM 2032 CB GLU B 34 4.981 3.543 -26.859 1.00 0.00 C ATOM 2033 CG GLU B 34 5.310 3.432 -28.349 1.00 0.00 C ATOM 2034 CD GLU B 34 6.660 2.739 -28.525 1.00 0.00 C ATOM 2035 OE1 GLU B 34 7.280 2.434 -27.520 1.00 0.00 O ATOM 2036 OE2 GLU B 34 7.053 2.527 -29.660 1.00 0.00 O ATOM 0 H GLU B 34 4.941 5.990 -27.234 1.00 0.00 H new ATOM 0 HA GLU B 34 2.932 3.945 -27.352 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.802 4.024 -26.327 1.00 0.00 H new ATOM 0 HB3 GLU B 34 4.858 2.550 -26.426 1.00 0.00 H new ATOM 0 HG2 GLU B 34 4.531 2.869 -28.863 1.00 0.00 H new ATOM 0 HG3 GLU B 34 5.337 4.424 -28.801 1.00 0.00 H new ATOM 2043 N LEU B 35 3.752 5.042 -24.374 1.00 0.00 N ATOM 2044 CA LEU B 35 3.275 5.018 -22.966 1.00 0.00 C ATOM 2045 C LEU B 35 1.817 5.469 -22.920 1.00 0.00 C ATOM 2046 O LEU B 35 0.979 4.855 -22.306 1.00 0.00 O ATOM 2047 CB LEU B 35 4.132 5.977 -22.125 1.00 0.00 C ATOM 2048 CG LEU B 35 3.539 6.124 -20.695 1.00 0.00 C ATOM 2049 CD1 LEU B 35 4.667 6.166 -19.656 1.00 0.00 C ATOM 2050 CD2 LEU B 35 2.724 7.425 -20.584 1.00 0.00 C ATOM 0 H LEU B 35 4.519 5.687 -24.564 1.00 0.00 H new ATOM 0 HA LEU B 35 3.358 4.007 -22.567 1.00 0.00 H new ATOM 0 HB2 LEU B 35 5.154 5.603 -22.065 1.00 0.00 H new ATOM 0 HB3 LEU B 35 4.177 6.953 -22.609 1.00 0.00 H new ATOM 0 HG LEU B 35 2.892 5.267 -20.507 1.00 0.00 H new ATOM 0 HD11 LEU B 35 4.239 6.269 -18.659 1.00 0.00 H new ATOM 0 HD12 LEU B 35 5.245 5.244 -19.709 1.00 0.00 H new ATOM 0 HD13 LEU B 35 5.319 7.015 -19.861 1.00 0.00 H new ATOM 0 HD21 LEU B 35 2.315 7.514 -19.577 1.00 0.00 H new ATOM 0 HD22 LEU B 35 3.371 8.278 -20.790 1.00 0.00 H new ATOM 0 HD23 LEU B 35 1.908 7.406 -21.306 1.00 0.00 H new ATOM 2062 N ILE B 36 1.524 6.571 -23.538 1.00 0.00 N ATOM 2063 CA ILE B 36 0.142 7.116 -23.491 1.00 0.00 C ATOM 2064 C ILE B 36 -0.832 6.238 -24.287 1.00 0.00 C ATOM 2065 O ILE B 36 -1.931 5.970 -23.843 1.00 0.00 O ATOM 2066 CB ILE B 36 0.163 8.534 -24.075 1.00 0.00 C ATOM 2067 CG1 ILE B 36 1.202 9.377 -23.326 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -1.209 9.196 -23.909 1.00 0.00 C ATOM 2069 CD1 ILE B 36 1.324 10.747 -23.996 1.00 0.00 C ATOM 0 H ILE B 36 2.187 7.125 -24.080 1.00 0.00 H new ATOM 0 HA ILE B 36 -0.201 7.132 -22.456 1.00 0.00 H new ATOM 0 HB ILE B 36 0.414 8.472 -25.134 1.00 0.00 H new ATOM 0 HG12 ILE B 36 0.907 9.495 -22.283 1.00 0.00 H new ATOM 0 HG13 ILE B 36 2.168 8.871 -23.329 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -1.181 10.202 -24.328 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -1.963 8.607 -24.431 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -1.461 9.251 -22.850 1.00 0.00 H new ATOM 0 HD11 ILE B 36 2.062 11.347 -23.465 1.00 0.00 H new ATOM 0 HD12 ILE B 36 1.638 10.619 -25.032 1.00 0.00 H new ATOM 0 HD13 ILE B 36 0.359 11.252 -23.970 1.00 0.00 H new ATOM 2081 N ASN B 37 -0.467 5.810 -25.462 1.00 0.00 N ATOM 2082 CA ASN B 37 -1.420 4.981 -26.265 1.00 0.00 C ATOM 2083 C ASN B 37 -1.652 3.610 -25.620 1.00 0.00 C ATOM 2084 O ASN B 37 -2.743 3.076 -25.645 1.00 0.00 O ATOM 2085 CB ASN B 37 -0.851 4.765 -27.671 1.00 0.00 C ATOM 2086 CG ASN B 37 -0.917 6.069 -28.462 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -0.153 6.979 -28.215 1.00 0.00 O ATOM 2088 ND2 ASN B 37 -1.801 6.193 -29.416 1.00 0.00 N ATOM 0 H ASN B 37 0.436 5.992 -25.900 1.00 0.00 H new ATOM 0 HA ASN B 37 -2.369 5.515 -26.309 1.00 0.00 H new ATOM 0 HB2 ASN B 37 0.181 4.420 -27.606 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -1.415 3.988 -28.186 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -1.851 7.057 -29.956 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -2.441 5.426 -29.621 1.00 0.00 H new ATOM 2095 N ASN B 38 -0.617 3.017 -25.100 1.00 0.00 N ATOM 2096 CA ASN B 38 -0.732 1.637 -24.507 1.00 0.00 C ATOM 2097 C ASN B 38 -0.850 1.635 -22.975 1.00 0.00 C ATOM 2098 O ASN B 38 -1.448 0.741 -22.411 1.00 0.00 O ATOM 2099 CB ASN B 38 0.494 0.816 -24.917 1.00 0.00 C ATOM 2100 CG ASN B 38 0.416 0.490 -26.411 1.00 0.00 C ATOM 2101 OD1 ASN B 38 1.298 -0.148 -26.951 1.00 0.00 O ATOM 2102 ND2 ASN B 38 -0.609 0.902 -27.106 1.00 0.00 N ATOM 0 H ASN B 38 0.317 3.425 -25.055 1.00 0.00 H new ATOM 0 HA ASN B 38 -1.653 1.201 -24.893 1.00 0.00 H new ATOM 0 HB2 ASN B 38 1.406 1.373 -24.703 1.00 0.00 H new ATOM 0 HB3 ASN B 38 0.539 -0.105 -24.335 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -0.669 0.688 -28.102 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -1.350 1.438 -26.654 1.00 0.00 H new ATOM 2109 N GLU B 39 -0.285 2.586 -22.279 1.00 0.00 N ATOM 2110 CA GLU B 39 -0.396 2.544 -20.788 1.00 0.00 C ATOM 2111 C GLU B 39 -1.775 3.057 -20.397 1.00 0.00 C ATOM 2112 O GLU B 39 -2.188 2.970 -19.259 1.00 0.00 O ATOM 2113 CB GLU B 39 0.692 3.422 -20.136 1.00 0.00 C ATOM 2114 CG GLU B 39 0.907 2.987 -18.677 1.00 0.00 C ATOM 2115 CD GLU B 39 1.915 1.837 -18.633 1.00 0.00 C ATOM 2116 OE1 GLU B 39 1.493 0.699 -18.745 1.00 0.00 O ATOM 2117 OE2 GLU B 39 3.095 2.118 -18.498 1.00 0.00 O ATOM 0 H GLU B 39 0.237 3.373 -22.665 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.258 1.520 -20.440 1.00 0.00 H new ATOM 0 HB2 GLU B 39 1.625 3.334 -20.693 1.00 0.00 H new ATOM 0 HB3 GLU B 39 0.396 4.471 -20.173 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.271 3.827 -18.085 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.039 2.673 -18.236 1.00 0.00 H new ATOM 2124 N LEU B 40 -2.488 3.590 -21.352 1.00 0.00 N ATOM 2125 CA LEU B 40 -3.855 4.125 -21.091 1.00 0.00 C ATOM 2126 C LEU B 40 -4.820 3.500 -22.102 1.00 0.00 C ATOM 2127 O LEU B 40 -5.442 4.188 -22.888 1.00 0.00 O ATOM 2128 CB LEU B 40 -3.848 5.649 -21.274 1.00 0.00 C ATOM 2129 CG LEU B 40 -2.638 6.275 -20.550 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -2.492 7.750 -20.951 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -2.842 6.189 -19.035 1.00 0.00 C ATOM 0 H LEU B 40 -2.175 3.679 -22.319 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.165 3.884 -20.074 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -3.810 5.893 -22.336 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.773 6.072 -20.882 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.738 5.729 -20.833 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.635 8.184 -20.435 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -2.341 7.821 -22.028 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.396 8.293 -20.675 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.986 6.632 -18.527 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.747 6.729 -18.759 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.939 5.144 -18.740 1.00 0.00 H new ATOM 2143 N SER B 41 -4.935 2.199 -22.103 1.00 0.00 N ATOM 2144 CA SER B 41 -5.843 1.534 -23.081 1.00 0.00 C ATOM 2145 C SER B 41 -7.278 2.027 -22.880 1.00 0.00 C ATOM 2146 O SER B 41 -7.992 2.285 -23.829 1.00 0.00 O ATOM 2147 CB SER B 41 -5.799 0.020 -22.871 1.00 0.00 C ATOM 2148 OG SER B 41 -6.431 -0.300 -21.639 1.00 0.00 O ATOM 0 H SER B 41 -4.441 1.570 -21.471 1.00 0.00 H new ATOM 0 HA SER B 41 -5.515 1.777 -24.092 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.302 -0.488 -23.694 1.00 0.00 H new ATOM 0 HB3 SER B 41 -4.766 -0.328 -22.865 1.00 0.00 H new ATOM 0 HG SER B 41 -6.407 -1.270 -21.501 1.00 0.00 H new ATOM 2154 N HIS B 42 -7.710 2.168 -21.656 1.00 0.00 N ATOM 2155 CA HIS B 42 -9.101 2.653 -21.400 1.00 0.00 C ATOM 2156 C HIS B 42 -9.118 3.508 -20.130 1.00 0.00 C ATOM 2157 O HIS B 42 -10.165 3.891 -19.645 1.00 0.00 O ATOM 2158 CB HIS B 42 -10.036 1.453 -21.222 1.00 0.00 C ATOM 2159 CG HIS B 42 -10.081 0.652 -22.497 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -10.896 1.006 -23.565 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -9.421 -0.487 -22.891 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -10.707 0.096 -24.540 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -9.820 -0.833 -24.178 1.00 0.00 N ATOM 0 H HIS B 42 -7.161 1.969 -20.820 1.00 0.00 H new ATOM 0 HA HIS B 42 -9.438 3.253 -22.245 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -9.688 0.827 -20.400 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -11.037 1.795 -20.960 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -8.703 -1.030 -22.294 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -11.210 0.116 -25.495 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -9.501 -1.630 -24.729 1.00 0.00 H new ATOM 2172 N PHE B 43 -7.968 3.802 -19.577 1.00 0.00 N ATOM 2173 CA PHE B 43 -7.923 4.621 -18.327 1.00 0.00 C ATOM 2174 C PHE B 43 -7.834 6.116 -18.677 1.00 0.00 C ATOM 2175 O PHE B 43 -7.990 6.969 -17.826 1.00 0.00 O ATOM 2176 CB PHE B 43 -6.707 4.192 -17.492 1.00 0.00 C ATOM 2177 CG PHE B 43 -6.509 5.133 -16.318 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -7.556 5.368 -15.412 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -5.275 5.776 -16.134 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -7.368 6.239 -14.333 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -5.091 6.647 -15.055 1.00 0.00 C ATOM 2182 CZ PHE B 43 -6.137 6.879 -14.155 1.00 0.00 C ATOM 0 H PHE B 43 -7.059 3.511 -19.937 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.833 4.460 -17.749 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -6.848 3.174 -17.130 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -5.813 4.187 -18.116 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -8.508 4.876 -15.548 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -4.466 5.598 -16.827 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -8.174 6.417 -13.637 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.141 7.141 -14.916 1.00 0.00 H new ATOM 0 HZ PHE B 43 -5.994 7.552 -13.323 1.00 0.00 H new ATOM 2192 N LEU B 44 -7.603 6.441 -19.924 1.00 0.00 N ATOM 2193 CA LEU B 44 -7.525 7.878 -20.328 1.00 0.00 C ATOM 2194 C LEU B 44 -7.762 7.962 -21.832 1.00 0.00 C ATOM 2195 O LEU B 44 -7.682 6.975 -22.535 1.00 0.00 O ATOM 2196 CB LEU B 44 -6.135 8.456 -19.998 1.00 0.00 C ATOM 2197 CG LEU B 44 -6.223 9.989 -19.795 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -6.577 10.308 -18.338 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -4.876 10.643 -20.131 1.00 0.00 C ATOM 0 H LEU B 44 -7.465 5.772 -20.681 1.00 0.00 H new ATOM 0 HA LEU B 44 -8.276 8.452 -19.785 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -5.743 7.985 -19.097 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -5.439 8.229 -20.805 1.00 0.00 H new ATOM 0 HG LEU B 44 -6.997 10.380 -20.455 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.636 11.388 -18.206 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.539 9.859 -18.091 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.808 9.904 -17.680 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.948 11.721 -19.985 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -4.103 10.239 -19.478 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.619 10.434 -21.169 1.00 0.00 H new ATOM 2211 N GLU B 45 -8.042 9.124 -22.338 1.00 0.00 N ATOM 2212 CA GLU B 45 -8.266 9.235 -23.797 1.00 0.00 C ATOM 2213 C GLU B 45 -6.990 8.803 -24.521 1.00 0.00 C ATOM 2214 O GLU B 45 -5.944 9.403 -24.372 1.00 0.00 O ATOM 2215 CB GLU B 45 -8.589 10.691 -24.151 1.00 0.00 C ATOM 2216 CG GLU B 45 -8.887 10.813 -25.648 1.00 0.00 C ATOM 2217 CD GLU B 45 -10.207 10.108 -25.966 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -10.964 9.869 -25.041 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -10.438 9.822 -27.129 1.00 0.00 O ATOM 0 H GLU B 45 -8.125 9.993 -21.810 1.00 0.00 H new ATOM 0 HA GLU B 45 -9.098 8.599 -24.099 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -9.447 11.033 -23.572 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -7.749 11.333 -23.886 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.946 11.863 -25.933 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -8.077 10.370 -26.228 1.00 0.00 H new ATOM 2226 N GLU B 46 -7.074 7.777 -25.316 1.00 0.00 N ATOM 2227 CA GLU B 46 -5.879 7.311 -26.068 1.00 0.00 C ATOM 2228 C GLU B 46 -5.471 8.382 -27.071 1.00 0.00 C ATOM 2229 O GLU B 46 -6.221 9.288 -27.375 1.00 0.00 O ATOM 2230 CB GLU B 46 -6.221 6.022 -26.833 1.00 0.00 C ATOM 2231 CG GLU B 46 -6.020 4.808 -25.934 1.00 0.00 C ATOM 2232 CD GLU B 46 -6.471 3.552 -26.683 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -7.074 3.700 -27.733 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -6.213 2.466 -26.195 1.00 0.00 O ATOM 0 H GLU B 46 -7.924 7.237 -25.479 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.065 7.120 -25.369 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -7.253 6.060 -27.180 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -5.590 5.937 -27.718 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -4.972 4.720 -25.649 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -6.592 4.923 -25.013 1.00 0.00 H new ATOM 2241 N ILE B 47 -4.293 8.260 -27.609 1.00 0.00 N ATOM 2242 CA ILE B 47 -3.831 9.234 -28.623 1.00 0.00 C ATOM 2243 C ILE B 47 -4.122 8.627 -29.981 1.00 0.00 C ATOM 2244 O ILE B 47 -3.658 7.549 -30.297 1.00 0.00 O ATOM 2245 CB ILE B 47 -2.332 9.447 -28.492 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -2.011 9.882 -27.053 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -1.863 10.504 -29.516 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -2.761 11.168 -26.683 1.00 0.00 C ATOM 0 H ILE B 47 -3.627 7.520 -27.386 1.00 0.00 H new ATOM 0 HA ILE B 47 -4.334 10.192 -28.493 1.00 0.00 H new ATOM 0 HB ILE B 47 -1.800 8.519 -28.702 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -2.284 9.086 -26.360 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -0.938 10.041 -26.949 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -0.788 10.653 -29.418 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -2.091 10.160 -30.525 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -2.379 11.446 -29.329 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -2.514 11.451 -25.660 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -2.468 11.969 -27.362 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -3.835 10.999 -26.764 1.00 0.00 H new ATOM 2260 N LYS B 48 -4.918 9.280 -30.772 1.00 0.00 N ATOM 2261 CA LYS B 48 -5.284 8.714 -32.097 1.00 0.00 C ATOM 2262 C LYS B 48 -4.393 9.341 -33.173 1.00 0.00 C ATOM 2263 O LYS B 48 -4.339 8.876 -34.294 1.00 0.00 O ATOM 2264 CB LYS B 48 -6.785 9.000 -32.372 1.00 0.00 C ATOM 2265 CG LYS B 48 -7.538 9.400 -31.073 1.00 0.00 C ATOM 2266 CD LYS B 48 -7.529 8.301 -29.985 1.00 0.00 C ATOM 2267 CE LYS B 48 -7.752 6.910 -30.570 1.00 0.00 C ATOM 2268 NZ LYS B 48 -8.902 6.932 -31.518 1.00 0.00 N ATOM 0 H LYS B 48 -5.334 10.186 -30.558 1.00 0.00 H new ATOM 0 HA LYS B 48 -5.130 7.635 -32.110 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -6.875 9.800 -33.107 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -7.251 8.115 -32.806 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -7.087 10.305 -30.666 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -8.571 9.643 -31.323 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -6.576 8.323 -29.457 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -8.306 8.513 -29.250 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -6.852 6.575 -31.086 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.945 6.196 -29.769 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -9.575 6.181 -31.264 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -9.377 7.855 -31.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -8.557 6.775 -32.486 1.00 0.00 H new ATOM 2282 N GLU B 49 -3.684 10.389 -32.836 1.00 0.00 N ATOM 2283 CA GLU B 49 -2.781 11.047 -33.830 1.00 0.00 C ATOM 2284 C GLU B 49 -1.471 11.464 -33.159 1.00 0.00 C ATOM 2285 O GLU B 49 -1.436 11.823 -31.999 1.00 0.00 O ATOM 2286 CB GLU B 49 -3.466 12.284 -34.409 1.00 0.00 C ATOM 2287 CG GLU B 49 -4.565 11.851 -35.376 1.00 0.00 C ATOM 2288 CD GLU B 49 -5.399 13.066 -35.784 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -5.091 14.151 -35.323 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -6.327 12.890 -36.557 1.00 0.00 O ATOM 0 H GLU B 49 -3.692 10.819 -31.911 1.00 0.00 H new ATOM 0 HA GLU B 49 -2.565 10.338 -34.629 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -3.890 12.887 -33.606 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -2.737 12.908 -34.926 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -4.124 11.387 -36.258 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -5.202 11.102 -34.906 1.00 0.00 H new ATOM 2297 N GLN B 50 -0.398 11.433 -33.898 1.00 0.00 N ATOM 2298 CA GLN B 50 0.921 11.840 -33.338 1.00 0.00 C ATOM 2299 C GLN B 50 0.907 13.345 -33.066 1.00 0.00 C ATOM 2300 O GLN B 50 1.675 13.845 -32.274 1.00 0.00 O ATOM 2301 CB GLN B 50 2.024 11.536 -34.359 1.00 0.00 C ATOM 2302 CG GLN B 50 3.425 11.724 -33.718 1.00 0.00 C ATOM 2303 CD GLN B 50 4.357 12.452 -34.694 1.00 0.00 C ATOM 2304 OE1 GLN B 50 5.320 11.889 -35.175 1.00 0.00 O ATOM 2305 NE2 GLN B 50 4.100 13.694 -35.001 1.00 0.00 N ATOM 0 H GLN B 50 -0.378 11.140 -34.875 1.00 0.00 H new ATOM 0 HA GLN B 50 1.108 11.292 -32.415 1.00 0.00 H new ATOM 0 HB2 GLN B 50 1.919 10.514 -34.724 1.00 0.00 H new ATOM 0 HB3 GLN B 50 1.921 12.194 -35.221 1.00 0.00 H new ATOM 0 HG2 GLN B 50 3.337 12.294 -32.793 1.00 0.00 H new ATOM 0 HG3 GLN B 50 3.847 10.754 -33.455 1.00 0.00 H new ATOM 0 HE21 GLN B 50 3.290 14.163 -34.595 1.00 0.00 H new ATOM 0 HE22 GLN B 50 4.709 14.196 -35.647 1.00 0.00 H new ATOM 2314 N GLU B 51 0.055 14.076 -33.732 1.00 0.00 N ATOM 2315 CA GLU B 51 0.023 15.554 -33.516 1.00 0.00 C ATOM 2316 C GLU B 51 -0.293 15.848 -32.055 1.00 0.00 C ATOM 2317 O GLU B 51 0.250 16.758 -31.470 1.00 0.00 O ATOM 2318 CB GLU B 51 -1.038 16.194 -34.425 1.00 0.00 C ATOM 2319 CG GLU B 51 -2.448 15.878 -33.906 1.00 0.00 C ATOM 2320 CD GLU B 51 -3.483 16.286 -34.958 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -3.089 16.521 -36.088 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -4.651 16.361 -34.612 1.00 0.00 O ATOM 0 H GLU B 51 -0.616 13.719 -34.412 1.00 0.00 H new ATOM 0 HA GLU B 51 0.997 15.976 -33.764 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -0.891 17.273 -34.463 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -0.926 15.821 -35.443 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -2.536 14.814 -33.687 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -2.632 16.412 -32.974 1.00 0.00 H new ATOM 2329 N VAL B 52 -1.159 15.088 -31.461 1.00 0.00 N ATOM 2330 CA VAL B 52 -1.492 15.331 -30.037 1.00 0.00 C ATOM 2331 C VAL B 52 -0.232 15.192 -29.211 1.00 0.00 C ATOM 2332 O VAL B 52 -0.012 15.916 -28.268 1.00 0.00 O ATOM 2333 CB VAL B 52 -2.517 14.303 -29.565 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -2.878 14.564 -28.098 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -3.766 14.397 -30.437 1.00 0.00 C ATOM 0 H VAL B 52 -1.651 14.309 -31.898 1.00 0.00 H new ATOM 0 HA VAL B 52 -1.908 16.332 -29.923 1.00 0.00 H new ATOM 0 HB VAL B 52 -2.094 13.302 -29.649 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -3.610 13.827 -27.767 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -1.981 14.486 -27.483 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -3.300 15.564 -28.000 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -4.500 13.664 -30.102 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -4.191 15.398 -30.358 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -3.501 14.197 -31.475 1.00 0.00 H new ATOM 2345 N VAL B 53 0.584 14.250 -29.550 1.00 0.00 N ATOM 2346 CA VAL B 53 1.832 14.035 -28.788 1.00 0.00 C ATOM 2347 C VAL B 53 2.754 15.233 -28.946 1.00 0.00 C ATOM 2348 O VAL B 53 3.427 15.614 -28.030 1.00 0.00 O ATOM 2349 CB VAL B 53 2.522 12.789 -29.319 1.00 0.00 C ATOM 2350 CG1 VAL B 53 3.735 12.450 -28.457 1.00 0.00 C ATOM 2351 CG2 VAL B 53 1.529 11.635 -29.289 1.00 0.00 C ATOM 0 H VAL B 53 0.440 13.611 -30.332 1.00 0.00 H new ATOM 0 HA VAL B 53 1.596 13.911 -27.731 1.00 0.00 H new ATOM 0 HB VAL B 53 2.862 12.964 -30.340 1.00 0.00 H new ATOM 0 HG11 VAL B 53 4.220 11.556 -28.848 1.00 0.00 H new ATOM 0 HG12 VAL B 53 4.439 13.282 -28.476 1.00 0.00 H new ATOM 0 HG13 VAL B 53 3.413 12.270 -27.431 1.00 0.00 H new ATOM 0 HG21 VAL B 53 2.009 10.732 -29.667 1.00 0.00 H new ATOM 0 HG22 VAL B 53 1.197 11.467 -28.264 1.00 0.00 H new ATOM 0 HG23 VAL B 53 0.670 11.878 -29.914 1.00 0.00 H new ATOM 2361 N ASP B 54 2.811 15.803 -30.108 1.00 0.00 N ATOM 2362 CA ASP B 54 3.719 16.963 -30.327 1.00 0.00 C ATOM 2363 C ASP B 54 3.249 18.158 -29.501 1.00 0.00 C ATOM 2364 O ASP B 54 4.039 18.919 -28.980 1.00 0.00 O ATOM 2365 CB ASP B 54 3.729 17.327 -31.813 1.00 0.00 C ATOM 2366 CG ASP B 54 4.451 16.230 -32.599 1.00 0.00 C ATOM 2367 OD1 ASP B 54 5.242 15.521 -31.998 1.00 0.00 O ATOM 2368 OD2 ASP B 54 4.197 16.113 -33.787 1.00 0.00 O ATOM 0 H ASP B 54 2.267 15.518 -30.923 1.00 0.00 H new ATOM 0 HA ASP B 54 4.728 16.695 -30.013 1.00 0.00 H new ATOM 0 HB2 ASP B 54 2.708 17.440 -32.178 1.00 0.00 H new ATOM 0 HB3 ASP B 54 4.228 18.285 -31.961 1.00 0.00 H new ATOM 2373 N LYS B 55 1.968 18.323 -29.383 1.00 0.00 N ATOM 2374 CA LYS B 55 1.423 19.463 -28.593 1.00 0.00 C ATOM 2375 C LYS B 55 1.762 19.228 -27.130 1.00 0.00 C ATOM 2376 O LYS B 55 2.136 20.129 -26.399 1.00 0.00 O ATOM 2377 CB LYS B 55 -0.098 19.533 -28.771 1.00 0.00 C ATOM 2378 CG LYS B 55 -0.662 20.720 -27.984 1.00 0.00 C ATOM 2379 CD LYS B 55 -2.179 20.780 -28.169 1.00 0.00 C ATOM 2380 CE LYS B 55 -2.744 21.966 -27.385 1.00 0.00 C ATOM 2381 NZ LYS B 55 -2.242 23.240 -27.976 1.00 0.00 N ATOM 0 H LYS B 55 1.265 17.714 -29.802 1.00 0.00 H new ATOM 0 HA LYS B 55 1.857 20.403 -28.933 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -0.345 19.636 -29.828 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -0.556 18.606 -28.426 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -0.418 20.618 -26.927 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -0.206 21.648 -28.328 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -2.423 20.881 -29.227 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -2.635 19.852 -27.824 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -3.834 21.946 -27.410 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -2.448 21.897 -26.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -2.861 24.024 -27.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -1.275 23.421 -27.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -2.239 23.164 -29.013 1.00 0.00 H new ATOM 2395 N VAL B 56 1.652 18.005 -26.709 1.00 0.00 N ATOM 2396 CA VAL B 56 1.981 17.668 -25.306 1.00 0.00 C ATOM 2397 C VAL B 56 3.469 17.898 -25.107 1.00 0.00 C ATOM 2398 O VAL B 56 3.913 18.300 -24.053 1.00 0.00 O ATOM 2399 CB VAL B 56 1.628 16.197 -25.039 1.00 0.00 C ATOM 2400 CG1 VAL B 56 2.325 15.703 -23.766 1.00 0.00 C ATOM 2401 CG2 VAL B 56 0.114 16.069 -24.862 1.00 0.00 C ATOM 0 H VAL B 56 1.346 17.219 -27.282 1.00 0.00 H new ATOM 0 HA VAL B 56 1.413 18.290 -24.614 1.00 0.00 H new ATOM 0 HB VAL B 56 1.962 15.594 -25.883 1.00 0.00 H new ATOM 0 HG11 VAL B 56 2.065 14.659 -23.590 1.00 0.00 H new ATOM 0 HG12 VAL B 56 3.405 15.793 -23.884 1.00 0.00 H new ATOM 0 HG13 VAL B 56 2.002 16.305 -22.917 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.143 15.027 -24.672 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.207 16.681 -24.019 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -0.388 16.407 -25.768 1.00 0.00 H new ATOM 2411 N MET B 57 4.244 17.644 -26.116 1.00 0.00 N ATOM 2412 CA MET B 57 5.707 17.839 -25.977 1.00 0.00 C ATOM 2413 C MET B 57 6.008 19.324 -25.863 1.00 0.00 C ATOM 2414 O MET B 57 6.932 19.717 -25.204 1.00 0.00 O ATOM 2415 CB MET B 57 6.448 17.207 -27.153 1.00 0.00 C ATOM 2416 CG MET B 57 6.375 15.682 -27.016 1.00 0.00 C ATOM 2417 SD MET B 57 7.407 15.133 -25.627 1.00 0.00 S ATOM 2418 CE MET B 57 8.998 15.079 -26.488 1.00 0.00 C ATOM 0 H MET B 57 3.930 17.311 -27.028 1.00 0.00 H new ATOM 0 HA MET B 57 6.055 17.343 -25.071 1.00 0.00 H new ATOM 0 HB2 MET B 57 6.001 17.524 -28.096 1.00 0.00 H new ATOM 0 HB3 MET B 57 7.487 17.536 -27.166 1.00 0.00 H new ATOM 0 HG2 MET B 57 5.342 15.372 -26.857 1.00 0.00 H new ATOM 0 HG3 MET B 57 6.711 15.209 -27.939 1.00 0.00 H new ATOM 0 HE1 MET B 57 9.312 14.042 -26.608 1.00 0.00 H new ATOM 0 HE2 MET B 57 8.897 15.543 -27.469 1.00 0.00 H new ATOM 0 HE3 MET B 57 9.745 15.619 -25.906 1.00 0.00 H new ATOM 2428 N GLU B 58 5.220 20.172 -26.447 1.00 0.00 N ATOM 2429 CA GLU B 58 5.504 21.621 -26.285 1.00 0.00 C ATOM 2430 C GLU B 58 5.506 21.895 -24.781 1.00 0.00 C ATOM 2431 O GLU B 58 6.282 22.679 -24.270 1.00 0.00 O ATOM 2432 CB GLU B 58 4.413 22.453 -26.965 1.00 0.00 C ATOM 2433 CG GLU B 58 4.776 23.937 -26.879 1.00 0.00 C ATOM 2434 CD GLU B 58 3.688 24.772 -27.557 1.00 0.00 C ATOM 2435 OE1 GLU B 58 2.834 24.185 -28.201 1.00 0.00 O ATOM 2436 OE2 GLU B 58 3.725 25.983 -27.418 1.00 0.00 O ATOM 0 H GLU B 58 4.408 19.936 -27.018 1.00 0.00 H new ATOM 0 HA GLU B 58 6.458 21.888 -26.740 1.00 0.00 H new ATOM 0 HB2 GLU B 58 4.309 22.153 -28.008 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.451 22.274 -26.484 1.00 0.00 H new ATOM 0 HG2 GLU B 58 4.881 24.236 -25.836 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.738 24.115 -27.360 1.00 0.00 H new ATOM 2443 N THR B 59 4.632 21.228 -24.075 1.00 0.00 N ATOM 2444 CA THR B 59 4.546 21.400 -22.597 1.00 0.00 C ATOM 2445 C THR B 59 5.658 20.616 -21.875 1.00 0.00 C ATOM 2446 O THR B 59 6.293 21.123 -20.971 1.00 0.00 O ATOM 2447 CB THR B 59 3.185 20.879 -22.127 1.00 0.00 C ATOM 2448 OG1 THR B 59 2.157 21.493 -22.892 1.00 0.00 O ATOM 2449 CG2 THR B 59 2.977 21.199 -20.647 1.00 0.00 C ATOM 0 H THR B 59 3.965 20.562 -24.466 1.00 0.00 H new ATOM 0 HA THR B 59 4.666 22.457 -22.360 1.00 0.00 H new ATOM 0 HB THR B 59 3.153 19.798 -22.262 1.00 0.00 H new ATOM 0 HG1 THR B 59 1.285 21.160 -22.595 1.00 0.00 H new ATOM 0 HG21 THR B 59 2.005 20.823 -20.326 1.00 0.00 H new ATOM 0 HG22 THR B 59 3.762 20.724 -20.058 1.00 0.00 H new ATOM 0 HG23 THR B 59 3.015 22.278 -20.499 1.00 0.00 H new ATOM 2457 N LEU B 60 5.877 19.374 -22.237 1.00 0.00 N ATOM 2458 CA LEU B 60 6.919 18.557 -21.536 1.00 0.00 C ATOM 2459 C LEU B 60 8.281 18.749 -22.192 1.00 0.00 C ATOM 2460 O LEU B 60 9.300 18.421 -21.621 1.00 0.00 O ATOM 2461 CB LEU B 60 6.540 17.076 -21.596 1.00 0.00 C ATOM 2462 CG LEU B 60 5.057 16.898 -21.255 1.00 0.00 C ATOM 2463 CD1 LEU B 60 4.747 15.406 -21.141 1.00 0.00 C ATOM 2464 CD2 LEU B 60 4.725 17.594 -19.929 1.00 0.00 C ATOM 0 H LEU B 60 5.380 18.891 -22.986 1.00 0.00 H new ATOM 0 HA LEU B 60 6.974 18.885 -20.498 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.742 16.681 -22.592 1.00 0.00 H new ATOM 0 HB3 LEU B 60 7.153 16.507 -20.897 1.00 0.00 H new ATOM 0 HG LEU B 60 4.453 17.346 -22.044 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.693 15.271 -20.898 1.00 0.00 H new ATOM 0 HD12 LEU B 60 4.967 14.915 -22.089 1.00 0.00 H new ATOM 0 HD13 LEU B 60 5.360 14.966 -20.354 1.00 0.00 H new ATOM 0 HD21 LEU B 60 3.668 17.458 -19.701 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.327 17.161 -19.130 1.00 0.00 H new ATOM 0 HD23 LEU B 60 4.944 18.658 -20.012 1.00 0.00 H new ATOM 2476 N ASP B 61 8.325 19.297 -23.370 1.00 0.00 N ATOM 2477 CA ASP B 61 9.648 19.521 -24.009 1.00 0.00 C ATOM 2478 C ASP B 61 10.208 20.779 -23.380 1.00 0.00 C ATOM 2479 O ASP B 61 10.403 21.794 -24.021 1.00 0.00 O ATOM 2480 CB ASP B 61 9.508 19.709 -25.520 1.00 0.00 C ATOM 2481 CG ASP B 61 10.895 19.738 -26.150 1.00 0.00 C ATOM 2482 OD1 ASP B 61 11.859 19.566 -25.423 1.00 0.00 O ATOM 2483 OD2 ASP B 61 10.971 19.928 -27.352 1.00 0.00 O ATOM 0 H ASP B 61 7.515 19.596 -23.913 1.00 0.00 H new ATOM 0 HA ASP B 61 10.302 18.662 -23.856 1.00 0.00 H new ATOM 0 HB2 ASP B 61 8.918 18.898 -25.947 1.00 0.00 H new ATOM 0 HB3 ASP B 61 8.978 20.636 -25.736 1.00 0.00 H new ATOM 2488 N GLU B 62 10.426 20.712 -22.105 1.00 0.00 N ATOM 2489 CA GLU B 62 10.931 21.887 -21.360 1.00 0.00 C ATOM 2490 C GLU B 62 12.264 22.339 -21.949 1.00 0.00 C ATOM 2491 O GLU B 62 12.523 23.519 -22.079 1.00 0.00 O ATOM 2492 CB GLU B 62 11.125 21.492 -19.898 1.00 0.00 C ATOM 2493 CG GLU B 62 9.830 20.872 -19.364 1.00 0.00 C ATOM 2494 CD GLU B 62 9.982 20.589 -17.868 1.00 0.00 C ATOM 2495 OE1 GLU B 62 11.093 20.700 -17.376 1.00 0.00 O ATOM 2496 OE2 GLU B 62 8.988 20.265 -17.241 1.00 0.00 O ATOM 0 H GLU B 62 10.273 19.878 -21.537 1.00 0.00 H new ATOM 0 HA GLU B 62 10.216 22.707 -21.434 1.00 0.00 H new ATOM 0 HB2 GLU B 62 11.946 20.781 -19.808 1.00 0.00 H new ATOM 0 HB3 GLU B 62 11.394 22.367 -19.306 1.00 0.00 H new ATOM 0 HG2 GLU B 62 8.993 21.549 -19.534 1.00 0.00 H new ATOM 0 HG3 GLU B 62 9.608 19.949 -19.899 1.00 0.00 H new ATOM 2503 N ASP B 63 13.112 21.420 -22.314 1.00 0.00 N ATOM 2504 CA ASP B 63 14.423 21.819 -22.899 1.00 0.00 C ATOM 2505 C ASP B 63 14.241 22.117 -24.392 1.00 0.00 C ATOM 2506 O ASP B 63 15.157 22.544 -25.066 1.00 0.00 O ATOM 2507 CB ASP B 63 15.440 20.693 -22.698 1.00 0.00 C ATOM 2508 CG ASP B 63 15.050 19.477 -23.535 1.00 0.00 C ATOM 2509 OD1 ASP B 63 13.952 19.471 -24.065 1.00 0.00 O ATOM 2510 OD2 ASP B 63 15.858 18.568 -23.624 1.00 0.00 O ATOM 0 H ASP B 63 12.957 20.415 -22.234 1.00 0.00 H new ATOM 0 HA ASP B 63 14.793 22.715 -22.401 1.00 0.00 H new ATOM 0 HB2 ASP B 63 16.435 21.036 -22.983 1.00 0.00 H new ATOM 0 HB3 ASP B 63 15.487 20.419 -21.644 1.00 0.00 H new ATOM 2515 N GLY B 64 13.053 21.923 -24.907 1.00 0.00 N ATOM 2516 CA GLY B 64 12.804 22.229 -26.351 1.00 0.00 C ATOM 2517 C GLY B 64 13.618 21.294 -27.255 1.00 0.00 C ATOM 2518 O GLY B 64 14.076 21.696 -28.305 1.00 0.00 O ATOM 0 H GLY B 64 12.247 21.567 -24.393 1.00 0.00 H new ATOM 0 HA2 GLY B 64 11.742 22.122 -26.572 1.00 0.00 H new ATOM 0 HA3 GLY B 64 13.070 23.265 -26.559 1.00 0.00 H new ATOM 2522 N ASP B 65 13.811 20.056 -26.862 1.00 0.00 N ATOM 2523 CA ASP B 65 14.610 19.104 -27.707 1.00 0.00 C ATOM 2524 C ASP B 65 13.687 18.086 -28.383 1.00 0.00 C ATOM 2525 O ASP B 65 14.136 17.206 -29.090 1.00 0.00 O ATOM 2526 CB ASP B 65 15.611 18.368 -26.816 1.00 0.00 C ATOM 2527 CG ASP B 65 14.859 17.529 -25.783 1.00 0.00 C ATOM 2528 OD1 ASP B 65 13.654 17.685 -25.683 1.00 0.00 O ATOM 2529 OD2 ASP B 65 15.507 16.755 -25.097 1.00 0.00 O ATOM 0 H ASP B 65 13.451 19.662 -25.993 1.00 0.00 H new ATOM 0 HA ASP B 65 15.136 19.666 -28.479 1.00 0.00 H new ATOM 0 HB2 ASP B 65 16.251 17.728 -27.423 1.00 0.00 H new ATOM 0 HB3 ASP B 65 16.261 19.084 -26.314 1.00 0.00 H new ATOM 2534 N GLY B 66 12.406 18.187 -28.166 1.00 0.00 N ATOM 2535 CA GLY B 66 11.465 17.210 -28.791 1.00 0.00 C ATOM 2536 C GLY B 66 11.551 15.894 -28.018 1.00 0.00 C ATOM 2537 O GLY B 66 11.058 14.867 -28.440 1.00 0.00 O ATOM 0 H GLY B 66 11.968 18.901 -27.584 1.00 0.00 H new ATOM 0 HA2 GLY B 66 10.446 17.597 -28.768 1.00 0.00 H new ATOM 0 HA3 GLY B 66 11.723 17.052 -29.838 1.00 0.00 H new ATOM 2541 N GLU B 67 12.189 15.937 -26.884 1.00 0.00 N ATOM 2542 CA GLU B 67 12.357 14.730 -26.029 1.00 0.00 C ATOM 2543 C GLU B 67 12.178 15.151 -24.565 1.00 0.00 C ATOM 2544 O GLU B 67 12.801 16.086 -24.103 1.00 0.00 O ATOM 2545 CB GLU B 67 13.772 14.173 -26.262 1.00 0.00 C ATOM 2546 CG GLU B 67 14.113 13.086 -25.239 1.00 0.00 C ATOM 2547 CD GLU B 67 15.482 12.493 -25.575 1.00 0.00 C ATOM 2548 OE1 GLU B 67 16.463 13.208 -25.446 1.00 0.00 O ATOM 2549 OE2 GLU B 67 15.528 11.335 -25.955 1.00 0.00 O ATOM 0 H GLU B 67 12.613 16.783 -26.503 1.00 0.00 H new ATOM 0 HA GLU B 67 11.623 13.961 -26.272 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.843 13.763 -27.270 1.00 0.00 H new ATOM 0 HB3 GLU B 67 14.500 14.981 -26.194 1.00 0.00 H new ATOM 0 HG2 GLU B 67 14.122 13.506 -24.233 1.00 0.00 H new ATOM 0 HG3 GLU B 67 13.352 12.306 -25.252 1.00 0.00 H new ATOM 2556 N CYS B 68 11.331 14.469 -23.832 1.00 0.00 N ATOM 2557 CA CYS B 68 11.103 14.822 -22.393 1.00 0.00 C ATOM 2558 C CYS B 68 11.791 13.777 -21.514 1.00 0.00 C ATOM 2559 O CYS B 68 11.650 12.588 -21.713 1.00 0.00 O ATOM 2560 CB CYS B 68 9.596 14.856 -22.106 1.00 0.00 C ATOM 2561 SG CYS B 68 8.791 13.451 -22.915 1.00 0.00 S ATOM 0 H CYS B 68 10.784 13.678 -24.170 1.00 0.00 H new ATOM 0 HA CYS B 68 11.520 15.805 -22.176 1.00 0.00 H new ATOM 0 HB2 CYS B 68 9.420 14.819 -21.031 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.168 15.791 -22.468 1.00 0.00 H new ATOM 0 HG CYS B 68 8.186 13.858 -23.991 1.00 0.00 H new ATOM 2567 N ASP B 69 12.555 14.220 -20.557 1.00 0.00 N ATOM 2568 CA ASP B 69 13.284 13.269 -19.674 1.00 0.00 C ATOM 2569 C ASP B 69 12.347 12.712 -18.604 1.00 0.00 C ATOM 2570 O ASP B 69 11.269 13.224 -18.375 1.00 0.00 O ATOM 2571 CB ASP B 69 14.446 13.999 -18.996 1.00 0.00 C ATOM 2572 CG ASP B 69 15.522 14.325 -20.033 1.00 0.00 C ATOM 2573 OD1 ASP B 69 15.526 13.689 -21.073 1.00 0.00 O ATOM 2574 OD2 ASP B 69 16.326 15.204 -19.767 1.00 0.00 O ATOM 0 H ASP B 69 12.707 15.206 -20.347 1.00 0.00 H new ATOM 0 HA ASP B 69 13.662 12.444 -20.278 1.00 0.00 H new ATOM 0 HB2 ASP B 69 14.089 14.916 -18.527 1.00 0.00 H new ATOM 0 HB3 ASP B 69 14.866 13.379 -18.204 1.00 0.00 H new ATOM 2579 N PHE B 70 12.761 11.666 -17.941 1.00 0.00 N ATOM 2580 CA PHE B 70 11.924 11.068 -16.880 1.00 0.00 C ATOM 2581 C PHE B 70 11.479 12.172 -15.917 1.00 0.00 C ATOM 2582 O PHE B 70 10.379 12.147 -15.412 1.00 0.00 O ATOM 2583 CB PHE B 70 12.756 10.007 -16.151 1.00 0.00 C ATOM 2584 CG PHE B 70 12.076 9.613 -14.864 1.00 0.00 C ATOM 2585 CD1 PHE B 70 10.785 9.079 -14.896 1.00 0.00 C ATOM 2586 CD2 PHE B 70 12.731 9.791 -13.641 1.00 0.00 C ATOM 2587 CE1 PHE B 70 10.150 8.721 -13.706 1.00 0.00 C ATOM 2588 CE2 PHE B 70 12.096 9.435 -12.454 1.00 0.00 C ATOM 2589 CZ PHE B 70 10.805 8.899 -12.482 1.00 0.00 C ATOM 0 H PHE B 70 13.655 11.200 -18.097 1.00 0.00 H new ATOM 0 HA PHE B 70 11.035 10.597 -17.300 1.00 0.00 H new ATOM 0 HB2 PHE B 70 12.883 9.131 -16.788 1.00 0.00 H new ATOM 0 HB3 PHE B 70 13.753 10.395 -15.941 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.279 8.944 -15.841 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.729 10.204 -13.617 1.00 0.00 H new ATOM 0 HE1 PHE B 70 9.153 8.307 -13.730 1.00 0.00 H new ATOM 0 HE2 PHE B 70 12.602 9.573 -11.510 1.00 0.00 H new ATOM 0 HZ PHE B 70 10.314 8.623 -11.561 1.00 0.00 H new ATOM 2599 N GLN B 71 12.318 13.140 -15.659 1.00 0.00 N ATOM 2600 CA GLN B 71 11.912 14.239 -14.737 1.00 0.00 C ATOM 2601 C GLN B 71 10.836 15.109 -15.413 1.00 0.00 C ATOM 2602 O GLN B 71 9.909 15.569 -14.777 1.00 0.00 O ATOM 2603 CB GLN B 71 13.129 15.095 -14.368 1.00 0.00 C ATOM 2604 CG GLN B 71 13.854 15.547 -15.633 1.00 0.00 C ATOM 2605 CD GLN B 71 15.074 16.384 -15.241 1.00 0.00 C ATOM 2606 OE1 GLN B 71 15.835 15.998 -14.376 1.00 0.00 O ATOM 2607 NE2 GLN B 71 15.294 17.521 -15.842 1.00 0.00 N ATOM 0 H GLN B 71 13.260 13.217 -16.044 1.00 0.00 H new ATOM 0 HA GLN B 71 11.501 13.807 -13.824 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.811 15.964 -13.791 1.00 0.00 H new ATOM 0 HB3 GLN B 71 13.807 14.523 -13.735 1.00 0.00 H new ATOM 0 HG2 GLN B 71 14.165 14.681 -16.218 1.00 0.00 H new ATOM 0 HG3 GLN B 71 13.183 16.132 -16.262 1.00 0.00 H new ATOM 0 HE21 GLN B 71 14.656 17.846 -16.568 1.00 0.00 H new ATOM 0 HE22 GLN B 71 16.104 18.085 -15.586 1.00 0.00 H new ATOM 2616 N GLU B 72 10.947 15.345 -16.697 1.00 0.00 N ATOM 2617 CA GLU B 72 9.917 16.181 -17.388 1.00 0.00 C ATOM 2618 C GLU B 72 8.595 15.412 -17.467 1.00 0.00 C ATOM 2619 O GLU B 72 7.525 15.958 -17.256 1.00 0.00 O ATOM 2620 CB GLU B 72 10.391 16.492 -18.811 1.00 0.00 C ATOM 2621 CG GLU B 72 11.574 17.461 -18.780 1.00 0.00 C ATOM 2622 CD GLU B 72 12.030 17.747 -20.213 1.00 0.00 C ATOM 2623 OE1 GLU B 72 11.507 18.675 -20.806 1.00 0.00 O ATOM 2624 OE2 GLU B 72 12.893 17.031 -20.694 1.00 0.00 O ATOM 0 H GLU B 72 11.699 14.998 -17.292 1.00 0.00 H new ATOM 0 HA GLU B 72 9.772 17.106 -16.829 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.682 15.570 -19.314 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.573 16.925 -19.387 1.00 0.00 H new ATOM 0 HG2 GLU B 72 11.286 18.389 -18.285 1.00 0.00 H new ATOM 0 HG3 GLU B 72 12.394 17.034 -18.203 1.00 0.00 H new ATOM 2631 N PHE B 73 8.657 14.144 -17.760 1.00 0.00 N ATOM 2632 CA PHE B 73 7.408 13.343 -17.845 1.00 0.00 C ATOM 2633 C PHE B 73 6.834 13.179 -16.448 1.00 0.00 C ATOM 2634 O PHE B 73 5.649 12.996 -16.270 1.00 0.00 O ATOM 2635 CB PHE B 73 7.690 11.965 -18.444 1.00 0.00 C ATOM 2636 CG PHE B 73 6.403 11.176 -18.451 1.00 0.00 C ATOM 2637 CD1 PHE B 73 5.536 11.262 -19.545 1.00 0.00 C ATOM 2638 CD2 PHE B 73 6.065 10.381 -17.350 1.00 0.00 C ATOM 2639 CE1 PHE B 73 4.332 10.548 -19.541 1.00 0.00 C ATOM 2640 CE2 PHE B 73 4.860 9.669 -17.344 1.00 0.00 C ATOM 2641 CZ PHE B 73 3.994 9.752 -18.440 1.00 0.00 C ATOM 0 H PHE B 73 9.518 13.629 -17.944 1.00 0.00 H new ATOM 0 HA PHE B 73 6.696 13.860 -18.488 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.079 12.064 -19.457 1.00 0.00 H new ATOM 0 HB3 PHE B 73 8.450 11.446 -17.860 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.795 11.879 -20.393 1.00 0.00 H new ATOM 0 HD2 PHE B 73 6.734 10.317 -16.505 1.00 0.00 H new ATOM 0 HE1 PHE B 73 3.664 10.611 -20.387 1.00 0.00 H new ATOM 0 HE2 PHE B 73 4.599 9.056 -16.494 1.00 0.00 H new ATOM 0 HZ PHE B 73 3.065 9.202 -18.437 1.00 0.00 H new ATOM 2651 N MET B 74 7.677 13.242 -15.459 1.00 0.00 N ATOM 2652 CA MET B 74 7.211 13.089 -14.058 1.00 0.00 C ATOM 2653 C MET B 74 6.198 14.194 -13.765 1.00 0.00 C ATOM 2654 O MET B 74 5.218 13.998 -13.065 1.00 0.00 O ATOM 2655 CB MET B 74 8.428 13.194 -13.105 1.00 0.00 C ATOM 2656 CG MET B 74 8.933 11.793 -12.660 1.00 0.00 C ATOM 2657 SD MET B 74 8.405 11.457 -10.955 1.00 0.00 S ATOM 2658 CE MET B 74 6.613 11.624 -11.185 1.00 0.00 C ATOM 0 H MET B 74 8.680 13.395 -15.564 1.00 0.00 H new ATOM 0 HA MET B 74 6.738 12.118 -13.909 1.00 0.00 H new ATOM 0 HB2 MET B 74 9.235 13.730 -13.604 1.00 0.00 H new ATOM 0 HB3 MET B 74 8.153 13.777 -12.226 1.00 0.00 H new ATOM 0 HG2 MET B 74 8.541 11.027 -13.329 1.00 0.00 H new ATOM 0 HG3 MET B 74 10.020 11.750 -12.728 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.100 11.330 -10.269 1.00 0.00 H new ATOM 0 HE2 MET B 74 6.371 12.661 -11.420 1.00 0.00 H new ATOM 0 HE3 MET B 74 6.290 10.982 -12.004 1.00 0.00 H new ATOM 2668 N ALA B 75 6.428 15.360 -14.284 1.00 0.00 N ATOM 2669 CA ALA B 75 5.476 16.462 -14.021 1.00 0.00 C ATOM 2670 C ALA B 75 4.153 16.201 -14.749 1.00 0.00 C ATOM 2671 O ALA B 75 3.092 16.535 -14.262 1.00 0.00 O ATOM 2672 CB ALA B 75 6.092 17.790 -14.479 1.00 0.00 C ATOM 0 H ALA B 75 7.226 15.596 -14.873 1.00 0.00 H new ATOM 0 HA ALA B 75 5.272 16.517 -12.952 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.391 18.602 -14.286 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.017 17.970 -13.931 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.307 17.743 -15.547 1.00 0.00 H new ATOM 2678 N PHE B 76 4.204 15.607 -15.906 1.00 0.00 N ATOM 2679 CA PHE B 76 2.941 15.323 -16.661 1.00 0.00 C ATOM 2680 C PHE B 76 2.029 14.402 -15.854 1.00 0.00 C ATOM 2681 O PHE B 76 0.830 14.554 -15.842 1.00 0.00 O ATOM 2682 CB PHE B 76 3.291 14.642 -17.983 1.00 0.00 C ATOM 2683 CG PHE B 76 2.024 14.348 -18.758 1.00 0.00 C ATOM 2684 CD1 PHE B 76 1.282 15.401 -19.309 1.00 0.00 C ATOM 2685 CD2 PHE B 76 1.595 13.025 -18.933 1.00 0.00 C ATOM 2686 CE1 PHE B 76 0.113 15.132 -20.031 1.00 0.00 C ATOM 2687 CE2 PHE B 76 0.425 12.757 -19.654 1.00 0.00 C ATOM 2688 CZ PHE B 76 -0.316 13.810 -20.203 1.00 0.00 C ATOM 0 H PHE B 76 5.062 15.304 -16.367 1.00 0.00 H new ATOM 0 HA PHE B 76 2.422 16.264 -16.844 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.947 15.284 -18.571 1.00 0.00 H new ATOM 0 HB3 PHE B 76 3.836 13.717 -17.793 1.00 0.00 H new ATOM 0 HD1 PHE B 76 1.612 16.421 -19.177 1.00 0.00 H new ATOM 0 HD2 PHE B 76 2.167 12.212 -18.511 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -0.458 15.944 -20.456 1.00 0.00 H new ATOM 0 HE2 PHE B 76 0.094 11.737 -19.787 1.00 0.00 H new ATOM 0 HZ PHE B 76 -1.218 13.603 -20.759 1.00 0.00 H new ATOM 2698 N VAL B 77 2.599 13.438 -15.208 1.00 0.00 N ATOM 2699 CA VAL B 77 1.792 12.460 -14.409 1.00 0.00 C ATOM 2700 C VAL B 77 1.034 13.191 -13.311 1.00 0.00 C ATOM 2701 O VAL B 77 -0.078 12.848 -12.985 1.00 0.00 O ATOM 2702 CB VAL B 77 2.729 11.399 -13.790 1.00 0.00 C ATOM 2703 CG1 VAL B 77 2.058 10.020 -13.785 1.00 0.00 C ATOM 2704 CG2 VAL B 77 4.009 11.341 -14.611 1.00 0.00 C ATOM 0 H VAL B 77 3.606 13.274 -15.192 1.00 0.00 H new ATOM 0 HA VAL B 77 1.074 11.965 -15.063 1.00 0.00 H new ATOM 0 HB VAL B 77 2.952 11.675 -12.759 1.00 0.00 H new ATOM 0 HG11 VAL B 77 2.735 9.288 -13.345 1.00 0.00 H new ATOM 0 HG12 VAL B 77 1.140 10.064 -13.199 1.00 0.00 H new ATOM 0 HG13 VAL B 77 1.821 9.727 -14.808 1.00 0.00 H new ATOM 0 HG21 VAL B 77 4.681 10.596 -14.185 1.00 0.00 H new ATOM 0 HG22 VAL B 77 3.770 11.069 -15.639 1.00 0.00 H new ATOM 0 HG23 VAL B 77 4.495 12.317 -14.597 1.00 0.00 H new ATOM 2714 N SER B 78 1.631 14.184 -12.731 1.00 0.00 N ATOM 2715 CA SER B 78 0.931 14.925 -11.650 1.00 0.00 C ATOM 2716 C SER B 78 -0.270 15.657 -12.247 1.00 0.00 C ATOM 2717 O SER B 78 -1.326 15.730 -11.656 1.00 0.00 O ATOM 2718 CB SER B 78 1.892 15.937 -11.025 1.00 0.00 C ATOM 2719 OG SER B 78 1.147 16.995 -10.438 1.00 0.00 O ATOM 0 H SER B 78 2.569 14.516 -12.955 1.00 0.00 H new ATOM 0 HA SER B 78 0.592 14.230 -10.882 1.00 0.00 H new ATOM 0 HB2 SER B 78 2.510 15.450 -10.270 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.567 16.331 -11.784 1.00 0.00 H new ATOM 0 HG SER B 78 1.274 17.814 -10.961 1.00 0.00 H new ATOM 2725 N MET B 79 -0.099 16.212 -13.412 1.00 0.00 N ATOM 2726 CA MET B 79 -1.205 16.964 -14.066 1.00 0.00 C ATOM 2727 C MET B 79 -2.397 16.045 -14.358 1.00 0.00 C ATOM 2728 O MET B 79 -3.533 16.375 -14.076 1.00 0.00 O ATOM 2729 CB MET B 79 -0.677 17.543 -15.381 1.00 0.00 C ATOM 2730 CG MET B 79 0.335 18.651 -15.081 1.00 0.00 C ATOM 2731 SD MET B 79 1.201 19.112 -16.603 1.00 0.00 S ATOM 2732 CE MET B 79 -0.255 19.618 -17.544 1.00 0.00 C ATOM 0 H MET B 79 0.770 16.177 -13.946 1.00 0.00 H new ATOM 0 HA MET B 79 -1.544 17.757 -13.400 1.00 0.00 H new ATOM 0 HB2 MET B 79 -0.208 16.758 -15.974 1.00 0.00 H new ATOM 0 HB3 MET B 79 -1.502 17.940 -15.973 1.00 0.00 H new ATOM 0 HG2 MET B 79 -0.175 19.519 -14.663 1.00 0.00 H new ATOM 0 HG3 MET B 79 1.051 18.311 -14.332 1.00 0.00 H new ATOM 0 HE1 MET B 79 0.033 20.359 -18.290 1.00 0.00 H new ATOM 0 HE2 MET B 79 -0.686 18.750 -18.042 1.00 0.00 H new ATOM 0 HE3 MET B 79 -0.992 20.052 -16.868 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.151 14.900 -14.924 1.00 0.00 N ATOM 2743 CA VAL B 80 -3.276 13.968 -15.243 1.00 0.00 C ATOM 2744 C VAL B 80 -3.887 13.439 -13.948 1.00 0.00 C ATOM 2745 O VAL B 80 -5.074 13.200 -13.851 1.00 0.00 O ATOM 2746 CB VAL B 80 -2.760 12.794 -16.070 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -3.939 11.909 -16.473 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -2.064 13.319 -17.325 1.00 0.00 C ATOM 0 H VAL B 80 -1.223 14.565 -15.181 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.032 14.508 -15.813 1.00 0.00 H new ATOM 0 HB VAL B 80 -2.050 12.214 -15.480 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -3.577 11.068 -17.064 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.436 11.536 -15.578 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -4.645 12.491 -17.065 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -1.696 12.480 -17.915 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -2.772 13.897 -17.919 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -1.227 13.955 -17.038 1.00 0.00 H new ATOM 2758 N THR B 81 -3.070 13.254 -12.958 1.00 0.00 N ATOM 2759 CA THR B 81 -3.559 12.736 -11.652 1.00 0.00 C ATOM 2760 C THR B 81 -4.596 13.702 -11.096 1.00 0.00 C ATOM 2761 O THR B 81 -5.597 13.311 -10.533 1.00 0.00 O ATOM 2762 CB THR B 81 -2.383 12.617 -10.683 1.00 0.00 C ATOM 2763 OG1 THR B 81 -1.418 11.722 -11.219 1.00 0.00 O ATOM 2764 CG2 THR B 81 -2.877 12.096 -9.333 1.00 0.00 C ATOM 0 H THR B 81 -2.068 13.442 -12.996 1.00 0.00 H new ATOM 0 HA THR B 81 -4.012 11.753 -11.784 1.00 0.00 H new ATOM 0 HB THR B 81 -1.929 13.598 -10.542 1.00 0.00 H new ATOM 0 HG1 THR B 81 -0.648 12.230 -11.548 1.00 0.00 H new ATOM 0 HG21 THR B 81 -2.036 12.013 -8.645 1.00 0.00 H new ATOM 0 HG22 THR B 81 -3.613 12.788 -8.923 1.00 0.00 H new ATOM 0 HG23 THR B 81 -3.335 11.116 -9.467 1.00 0.00 H new ATOM 2772 N THR B 82 -4.356 14.964 -11.255 1.00 0.00 N ATOM 2773 CA THR B 82 -5.307 15.980 -10.751 1.00 0.00 C ATOM 2774 C THR B 82 -6.663 15.734 -11.420 1.00 0.00 C ATOM 2775 O THR B 82 -7.705 15.818 -10.795 1.00 0.00 O ATOM 2776 CB THR B 82 -4.776 17.366 -11.128 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.439 17.495 -10.664 1.00 0.00 O ATOM 2778 CG2 THR B 82 -5.633 18.451 -10.481 1.00 0.00 C ATOM 0 H THR B 82 -3.530 15.341 -11.719 1.00 0.00 H new ATOM 0 HA THR B 82 -5.417 15.919 -9.668 1.00 0.00 H new ATOM 0 HB THR B 82 -4.812 17.479 -12.212 1.00 0.00 H new ATOM 0 HG1 THR B 82 -3.225 16.746 -10.069 1.00 0.00 H new ATOM 0 HG21 THR B 82 -5.246 19.432 -10.756 1.00 0.00 H new ATOM 0 HG22 THR B 82 -6.662 18.357 -10.827 1.00 0.00 H new ATOM 0 HG23 THR B 82 -5.603 18.340 -9.397 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.654 15.406 -12.683 1.00 0.00 N ATOM 2787 CA ALA B 83 -7.933 15.124 -13.395 1.00 0.00 C ATOM 2788 C ALA B 83 -8.641 13.951 -12.714 1.00 0.00 C ATOM 2789 O ALA B 83 -9.845 13.944 -12.560 1.00 0.00 O ATOM 2790 CB ALA B 83 -7.637 14.777 -14.859 1.00 0.00 C ATOM 0 H ALA B 83 -5.813 15.321 -13.254 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.576 16.003 -13.360 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -8.572 14.571 -15.380 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.133 15.617 -15.337 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -6.996 13.897 -14.902 1.00 0.00 H new ATOM 2796 N CYS B 84 -7.899 12.958 -12.310 1.00 0.00 N ATOM 2797 CA CYS B 84 -8.524 11.782 -11.644 1.00 0.00 C ATOM 2798 C CYS B 84 -9.265 12.242 -10.387 1.00 0.00 C ATOM 2799 O CYS B 84 -10.290 11.699 -10.032 1.00 0.00 O ATOM 2800 CB CYS B 84 -7.439 10.776 -11.252 1.00 0.00 C ATOM 2801 SG CYS B 84 -6.601 10.176 -12.740 1.00 0.00 S ATOM 0 H CYS B 84 -6.885 12.910 -12.413 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.226 11.310 -12.331 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -6.719 11.245 -10.581 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -7.882 9.941 -10.710 1.00 0.00 H new ATOM 0 HG CYS B 84 -5.370 9.872 -12.452 1.00 0.00 H new ATOM 2807 N HIS B 85 -8.760 13.240 -9.709 1.00 0.00 N ATOM 2808 CA HIS B 85 -9.452 13.718 -8.480 1.00 0.00 C ATOM 2809 C HIS B 85 -10.861 14.184 -8.836 1.00 0.00 C ATOM 2810 O HIS B 85 -11.807 13.933 -8.116 1.00 0.00 O ATOM 2811 CB HIS B 85 -8.683 14.902 -7.894 1.00 0.00 C ATOM 2812 CG HIS B 85 -9.387 15.397 -6.661 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -10.701 15.847 -6.693 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -8.975 15.539 -5.358 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -11.029 16.235 -5.447 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -10.013 16.068 -4.599 1.00 0.00 N ATOM 0 H HIS B 85 -7.905 13.740 -9.952 1.00 0.00 H new ATOM 0 HA HIS B 85 -9.500 12.904 -7.756 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -7.664 14.602 -7.648 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -8.611 15.702 -8.630 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -7.996 15.280 -4.982 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -11.994 16.632 -5.168 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -10.000 16.283 -3.602 1.00 0.00 H new ATOM 2825 N GLU B 86 -11.011 14.860 -9.938 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.365 15.335 -10.327 1.00 0.00 C ATOM 2827 C GLU B 86 -13.293 14.133 -10.493 1.00 0.00 C ATOM 2828 O GLU B 86 -14.415 14.130 -10.027 1.00 0.00 O ATOM 2829 CB GLU B 86 -12.275 16.103 -11.651 1.00 0.00 C ATOM 2830 CG GLU B 86 -13.664 16.610 -12.053 1.00 0.00 C ATOM 2831 CD GLU B 86 -13.557 17.428 -13.342 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -12.443 17.671 -13.774 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -14.592 17.796 -13.875 1.00 0.00 O ATOM 0 H GLU B 86 -10.259 15.103 -10.583 1.00 0.00 H new ATOM 0 HA GLU B 86 -12.759 15.994 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.587 16.942 -11.549 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -11.874 15.455 -12.431 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -14.341 15.769 -12.199 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -14.084 17.222 -11.255 1.00 0.00 H new ATOM 2840 N PHE B 87 -12.830 13.109 -11.152 1.00 0.00 N ATOM 2841 CA PHE B 87 -13.682 11.904 -11.350 1.00 0.00 C ATOM 2842 C PHE B 87 -13.817 11.158 -10.027 1.00 0.00 C ATOM 2843 O PHE B 87 -14.870 10.657 -9.684 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.044 10.985 -12.394 1.00 0.00 C ATOM 2845 CG PHE B 87 -13.138 11.632 -13.757 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -14.331 11.564 -14.488 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -12.029 12.298 -14.292 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -14.414 12.163 -15.751 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -12.111 12.896 -15.555 1.00 0.00 C ATOM 2850 CZ PHE B 87 -13.304 12.829 -16.285 1.00 0.00 C ATOM 0 H PHE B 87 -11.898 13.054 -11.562 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.668 12.211 -11.699 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -12.001 10.797 -12.140 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -13.550 10.019 -12.402 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -15.187 11.049 -14.077 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -11.109 12.351 -13.729 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -15.335 12.111 -16.313 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -11.254 13.409 -15.966 1.00 0.00 H new ATOM 0 HZ PHE B 87 -13.368 13.291 -17.259 1.00 0.00 H new ATOM 2860 N PHE B 88 -12.748 11.078 -9.283 1.00 0.00 N ATOM 2861 CA PHE B 88 -12.788 10.361 -7.974 1.00 0.00 C ATOM 2862 C PHE B 88 -13.070 11.373 -6.870 1.00 0.00 C ATOM 2863 O PHE B 88 -12.257 11.612 -5.999 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.432 9.666 -7.742 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.476 8.262 -8.307 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -12.130 8.018 -9.521 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -10.859 7.211 -7.620 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.168 6.721 -10.047 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -10.898 5.914 -8.145 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.552 5.669 -9.358 1.00 0.00 C ATOM 0 H PHE B 88 -11.843 11.480 -9.526 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.574 9.606 -7.972 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -10.634 10.235 -8.219 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.207 9.633 -6.676 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -12.605 8.830 -10.051 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.353 7.400 -6.685 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -12.672 6.532 -10.983 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.423 5.102 -7.614 1.00 0.00 H new ATOM 0 HZ PHE B 88 -11.582 4.668 -9.763 1.00 0.00 H new ATOM 3114 N ARG X 104 20.375 19.056 4.468 1.00 0.00 N ATOM 3115 CA ARG X 104 19.407 18.006 4.045 1.00 0.00 C ATOM 3116 C ARG X 104 18.383 18.633 3.096 1.00 0.00 C ATOM 3117 O ARG X 104 17.994 18.056 2.094 1.00 0.00 O ATOM 3118 CB ARG X 104 18.682 17.441 5.277 1.00 0.00 C ATOM 3119 CG ARG X 104 19.649 16.596 6.146 1.00 0.00 C ATOM 3120 CD ARG X 104 20.366 17.477 7.195 1.00 0.00 C ATOM 3121 NE ARG X 104 21.800 17.059 7.304 1.00 0.00 N ATOM 3122 CZ ARG X 104 22.132 15.802 7.435 1.00 0.00 C ATOM 3123 NH1 ARG X 104 21.217 14.891 7.619 1.00 0.00 N ATOM 3124 NH2 ARG X 104 23.392 15.463 7.426 1.00 0.00 N ATOM 0 HA ARG X 104 19.938 17.198 3.542 1.00 0.00 H new ATOM 0 HB2 ARG X 104 18.273 18.259 5.870 1.00 0.00 H new ATOM 0 HB3 ARG X 104 17.840 16.826 4.959 1.00 0.00 H new ATOM 0 HG2 ARG X 104 19.094 15.805 6.649 1.00 0.00 H new ATOM 0 HG3 ARG X 104 20.387 16.111 5.508 1.00 0.00 H new ATOM 0 HD2 ARG X 104 20.303 18.527 6.908 1.00 0.00 H new ATOM 0 HD3 ARG X 104 19.874 17.381 8.163 1.00 0.00 H new ATOM 0 HE ARG X 104 22.532 17.769 7.275 1.00 0.00 H new ATOM 0 HH11 ARG X 104 20.233 15.157 7.662 1.00 0.00 H new ATOM 0 HH12 ARG X 104 21.485 13.912 7.720 1.00 0.00 H new ATOM 0 HH21 ARG X 104 24.112 16.178 7.317 1.00 0.00 H new ATOM 0 HH22 ARG X 104 23.657 14.483 7.528 1.00 0.00 H new ATOM 3138 N HIS X 105 17.957 19.827 3.402 1.00 0.00 N ATOM 3139 CA HIS X 105 16.973 20.515 2.528 1.00 0.00 C ATOM 3140 C HIS X 105 17.612 20.700 1.155 1.00 0.00 C ATOM 3141 O HIS X 105 16.973 20.562 0.131 1.00 0.00 O ATOM 3142 CB HIS X 105 16.614 21.870 3.139 1.00 0.00 C ATOM 3143 CG HIS X 105 16.182 21.661 4.566 1.00 0.00 C ATOM 3144 ND1 HIS X 105 15.783 20.419 5.043 1.00 0.00 N ATOM 3145 CD2 HIS X 105 16.104 22.515 5.639 1.00 0.00 C ATOM 3146 CE1 HIS X 105 15.490 20.560 6.349 1.00 0.00 C ATOM 3147 NE2 HIS X 105 15.671 21.816 6.758 1.00 0.00 N ATOM 0 H HIS X 105 18.251 20.356 4.223 1.00 0.00 H new ATOM 0 HA HIS X 105 16.060 19.928 2.433 1.00 0.00 H new ATOM 0 HB2 HIS X 105 17.472 22.541 3.099 1.00 0.00 H new ATOM 0 HB3 HIS X 105 15.814 22.341 2.568 1.00 0.00 H new ATOM 0 HD2 HIS X 105 16.343 23.568 5.616 1.00 0.00 H new ATOM 0 HE1 HIS X 105 15.151 19.756 6.986 1.00 0.00 H new ATOM 0 HE2 HIS X 105 15.522 22.186 7.697 1.00 0.00 H new ATOM 3156 N LYS X 106 18.881 21.001 1.137 1.00 0.00 N ATOM 3157 CA LYS X 106 19.598 21.189 -0.154 1.00 0.00 C ATOM 3158 C LYS X 106 19.517 19.896 -0.965 1.00 0.00 C ATOM 3159 O LYS X 106 19.480 19.921 -2.177 1.00 0.00 O ATOM 3160 CB LYS X 106 21.070 21.540 0.127 1.00 0.00 C ATOM 3161 CG LYS X 106 21.876 21.706 -1.183 1.00 0.00 C ATOM 3162 CD LYS X 106 21.628 23.087 -1.816 1.00 0.00 C ATOM 3163 CE LYS X 106 22.185 24.207 -0.921 1.00 0.00 C ATOM 3164 NZ LYS X 106 22.639 25.336 -1.781 1.00 0.00 N ATOM 0 H LYS X 106 19.457 21.126 1.970 1.00 0.00 H new ATOM 0 HA LYS X 106 19.139 22.000 -0.720 1.00 0.00 H new ATOM 0 HB2 LYS X 106 21.121 22.463 0.705 1.00 0.00 H new ATOM 0 HB3 LYS X 106 21.522 20.757 0.736 1.00 0.00 H new ATOM 0 HG2 LYS X 106 22.939 21.583 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS X 106 21.595 20.924 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS X 106 22.099 23.132 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS X 106 20.559 23.235 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS X 106 21.419 24.549 -0.225 1.00 0.00 H new ATOM 0 HE3 LYS X 106 23.015 23.832 -0.322 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 23.017 26.098 -1.183 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 23.382 25.003 -2.428 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 21.835 25.697 -2.334 1.00 0.00 H new ATOM 3178 N LYS X 107 19.513 18.764 -0.322 1.00 0.00 N ATOM 3179 CA LYS X 107 19.464 17.501 -1.101 1.00 0.00 C ATOM 3180 C LYS X 107 18.195 17.483 -1.944 1.00 0.00 C ATOM 3181 O LYS X 107 18.225 17.068 -3.075 1.00 0.00 O ATOM 3182 CB LYS X 107 19.457 16.291 -0.164 1.00 0.00 C ATOM 3183 CG LYS X 107 20.807 16.169 0.554 1.00 0.00 C ATOM 3184 CD LYS X 107 20.968 14.749 1.116 1.00 0.00 C ATOM 3185 CE LYS X 107 19.727 14.360 1.929 1.00 0.00 C ATOM 3186 NZ LYS X 107 20.077 13.262 2.872 1.00 0.00 N ATOM 0 H LYS X 107 19.541 18.659 0.692 1.00 0.00 H new ATOM 0 HA LYS X 107 20.345 17.448 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS X 107 18.656 16.393 0.568 1.00 0.00 H new ATOM 0 HB3 LYS X 107 19.256 15.383 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS X 107 21.619 16.391 -0.138 1.00 0.00 H new ATOM 0 HG3 LYS X 107 20.868 16.899 1.361 1.00 0.00 H new ATOM 0 HD2 LYS X 107 21.114 14.041 0.300 1.00 0.00 H new ATOM 0 HD3 LYS X 107 21.856 14.697 1.746 1.00 0.00 H new ATOM 0 HE2 LYS X 107 19.355 15.223 2.481 1.00 0.00 H new ATOM 0 HE3 LYS X 107 18.927 14.040 1.261 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 19.236 12.997 3.424 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 20.413 12.437 2.335 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 20.827 13.584 3.517 1.00 0.00 H new ATOM 3200 N LEU X 108 17.085 17.936 -1.418 1.00 0.00 N ATOM 3201 CA LEU X 108 15.823 17.943 -2.233 1.00 0.00 C ATOM 3202 C LEU X 108 15.955 18.974 -3.364 1.00 0.00 C ATOM 3203 O LEU X 108 15.381 18.830 -4.430 1.00 0.00 O ATOM 3204 CB LEU X 108 14.626 18.303 -1.336 1.00 0.00 C ATOM 3205 CG LEU X 108 13.302 18.140 -2.104 1.00 0.00 C ATOM 3206 CD1 LEU X 108 12.923 16.655 -2.229 1.00 0.00 C ATOM 3207 CD2 LEU X 108 12.184 18.871 -1.351 1.00 0.00 C ATOM 0 H LEU X 108 16.994 18.299 -0.469 1.00 0.00 H new ATOM 0 HA LEU X 108 15.660 16.954 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU X 108 14.621 17.663 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU X 108 14.724 19.330 -0.985 1.00 0.00 H new ATOM 0 HG LEU X 108 13.429 18.561 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU X 108 11.984 16.564 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU X 108 13.708 16.123 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU X 108 12.808 16.224 -1.235 1.00 0.00 H new ATOM 0 HD21 LEU X 108 11.245 18.757 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU X 108 12.080 18.447 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU X 108 12.431 19.930 -1.272 1.00 0.00 H new ATOM 3219 N MET X 109 16.701 20.018 -3.141 1.00 0.00 N ATOM 3220 CA MET X 109 16.864 21.059 -4.195 1.00 0.00 C ATOM 3221 C MET X 109 17.438 20.430 -5.469 1.00 0.00 C ATOM 3222 O MET X 109 17.278 20.957 -6.550 1.00 0.00 O ATOM 3223 CB MET X 109 17.794 22.167 -3.696 1.00 0.00 C ATOM 3224 CG MET X 109 17.174 22.818 -2.460 1.00 0.00 C ATOM 3225 SD MET X 109 15.702 23.755 -2.950 1.00 0.00 S ATOM 3226 CE MET X 109 14.675 23.358 -1.513 1.00 0.00 C ATOM 0 H MET X 109 17.206 20.197 -2.273 1.00 0.00 H new ATOM 0 HA MET X 109 15.888 21.489 -4.421 1.00 0.00 H new ATOM 0 HB2 MET X 109 18.774 21.755 -3.453 1.00 0.00 H new ATOM 0 HB3 MET X 109 17.946 22.911 -4.478 1.00 0.00 H new ATOM 0 HG2 MET X 109 16.907 22.055 -1.729 1.00 0.00 H new ATOM 0 HG3 MET X 109 17.897 23.479 -1.982 1.00 0.00 H new ATOM 0 HE1 MET X 109 13.705 23.844 -1.614 1.00 0.00 H new ATOM 0 HE2 MET X 109 14.535 22.279 -1.453 1.00 0.00 H new ATOM 0 HE3 MET X 109 15.166 23.712 -0.606 1.00 0.00 H new ATOM 3236 N PHE X 110 18.133 19.328 -5.349 1.00 0.00 N ATOM 3237 CA PHE X 110 18.748 18.684 -6.553 1.00 0.00 C ATOM 3238 C PHE X 110 17.790 18.748 -7.758 1.00 0.00 C ATOM 3239 O PHE X 110 18.178 19.147 -8.838 1.00 0.00 O ATOM 3240 CB PHE X 110 19.112 17.211 -6.226 1.00 0.00 C ATOM 3241 CG PHE X 110 17.993 16.243 -6.603 1.00 0.00 C ATOM 3242 CD1 PHE X 110 16.965 15.949 -5.695 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.003 15.621 -7.859 1.00 0.00 C ATOM 3244 CE1 PHE X 110 15.958 15.045 -6.040 1.00 0.00 C ATOM 3245 CE2 PHE X 110 16.986 14.717 -8.203 1.00 0.00 C ATOM 3246 CZ PHE X 110 15.963 14.430 -7.288 1.00 0.00 C ATOM 0 H PHE X 110 18.303 18.844 -4.467 1.00 0.00 H new ATOM 0 HA PHE X 110 19.655 19.227 -6.817 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.022 16.937 -6.759 1.00 0.00 H new ATOM 0 HB3 PHE X 110 19.326 17.119 -5.161 1.00 0.00 H new ATOM 0 HD1 PHE X 110 16.952 16.424 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE X 110 18.794 15.837 -8.562 1.00 0.00 H new ATOM 0 HE1 PHE X 110 15.171 14.822 -5.334 1.00 0.00 H new ATOM 0 HE2 PHE X 110 16.991 14.242 -9.173 1.00 0.00 H new ATOM 0 HZ PHE X 110 15.181 13.733 -7.551 1.00 0.00 H new ATOM 3256 N LYS X 111 16.552 18.354 -7.596 1.00 0.00 N ATOM 3257 CA LYS X 111 15.610 18.398 -8.759 1.00 0.00 C ATOM 3258 C LYS X 111 15.084 19.828 -8.955 1.00 0.00 C ATOM 3259 O LYS X 111 14.706 20.203 -10.047 1.00 0.00 O ATOM 3260 CB LYS X 111 14.474 17.352 -8.554 1.00 0.00 C ATOM 3261 CG LYS X 111 13.128 17.966 -8.110 1.00 0.00 C ATOM 3262 CD LYS X 111 13.202 18.354 -6.634 1.00 0.00 C ATOM 3263 CE LYS X 111 13.337 17.107 -5.739 1.00 0.00 C ATOM 3264 NZ LYS X 111 12.854 15.886 -6.451 1.00 0.00 N ATOM 0 H LYS X 111 16.155 18.008 -6.722 1.00 0.00 H new ATOM 0 HA LYS X 111 16.131 18.127 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS X 111 14.323 16.807 -9.486 1.00 0.00 H new ATOM 0 HB3 LYS X 111 14.794 16.625 -7.808 1.00 0.00 H new ATOM 0 HG2 LYS X 111 12.900 18.843 -8.716 1.00 0.00 H new ATOM 0 HG3 LYS X 111 12.321 17.251 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS X 111 14.052 19.016 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS X 111 12.307 18.910 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS X 111 14.379 16.975 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS X 111 12.765 17.249 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 12.778 15.098 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 11.921 16.074 -6.869 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 13.526 15.634 -7.203 1.00 0.00 H new ATOM 3278 N THR X 112 15.053 20.638 -7.926 1.00 0.00 N ATOM 3279 CA THR X 112 14.543 22.029 -8.123 1.00 0.00 C ATOM 3280 C THR X 112 15.422 22.717 -9.162 1.00 0.00 C ATOM 3281 O THR X 112 14.950 23.459 -10.002 1.00 0.00 O ATOM 3282 CB THR X 112 14.597 22.823 -6.814 1.00 0.00 C ATOM 3283 OG1 THR X 112 15.932 22.851 -6.331 1.00 0.00 O ATOM 3284 CG2 THR X 112 13.680 22.181 -5.772 1.00 0.00 C ATOM 0 H THR X 112 15.351 20.404 -6.979 1.00 0.00 H new ATOM 0 HA THR X 112 13.506 21.987 -8.455 1.00 0.00 H new ATOM 0 HB THR X 112 14.258 23.842 -6.999 1.00 0.00 H new ATOM 0 HG1 THR X 112 16.434 22.101 -6.714 1.00 0.00 H new ATOM 0 HG21 THR X 112 13.726 22.753 -4.845 1.00 0.00 H new ATOM 0 HG22 THR X 112 12.655 22.174 -6.144 1.00 0.00 H new ATOM 0 HG23 THR X 112 14.004 21.158 -5.583 1.00 0.00 H new ATOM 3292 N GLU X 113 16.700 22.464 -9.122 1.00 0.00 N ATOM 3293 CA GLU X 113 17.612 23.086 -10.118 1.00 0.00 C ATOM 3294 CB GLU X 113 17.334 22.470 -11.490 1.00 0.00 C ATOM 3295 CG GLU X 113 17.612 20.965 -11.431 1.00 0.00 C ATOM 3296 CD GLU X 113 19.117 20.736 -11.264 1.00 0.00 C ATOM 3297 OE1 GLU X 113 19.873 21.631 -11.604 1.00 0.00 O ATOM 3298 OE2 GLU X 113 19.488 19.670 -10.800 1.00 0.00 O ATOM 0 H GLU X 113 17.152 21.853 -8.442 1.00 0.00 H new ATOM 0 HB2 GLU X 113 16.299 22.650 -11.780 1.00 0.00 H new ATOM 0 HB3 GLU X 113 17.963 22.939 -12.247 1.00 0.00 H new ATOM 0 HG2 GLU X 113 17.069 20.515 -10.599 1.00 0.00 H new ATOM 0 HG3 GLU X 113 17.258 20.482 -12.341 1.00 0.00 H new ATOM 3493 N ARG Y 104 -11.653 16.672 -27.559 1.00 0.00 N ATOM 3494 CA ARG Y 104 -11.263 15.782 -26.431 1.00 0.00 C ATOM 3495 C ARG Y 104 -9.913 16.246 -25.881 1.00 0.00 C ATOM 3496 O ARG Y 104 -9.684 16.286 -24.683 1.00 0.00 O ATOM 3497 CB ARG Y 104 -11.144 14.331 -26.928 1.00 0.00 C ATOM 3498 CG ARG Y 104 -12.541 13.753 -27.272 1.00 0.00 C ATOM 3499 CD ARG Y 104 -12.909 14.033 -28.748 1.00 0.00 C ATOM 3500 NE ARG Y 104 -14.356 14.404 -28.843 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -15.279 13.692 -28.251 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -14.976 12.558 -27.683 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -16.520 14.095 -28.268 1.00 0.00 N ATOM 0 HA ARG Y 104 -12.020 15.828 -25.648 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -10.503 14.295 -27.809 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -10.669 13.717 -26.163 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -12.549 12.678 -27.089 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -13.292 14.193 -26.616 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -12.290 14.839 -29.141 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -12.708 13.151 -29.357 1.00 0.00 H new ATOM 0 HE ARG Y 104 -14.627 15.228 -29.380 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -14.013 12.221 -27.699 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -15.702 12.008 -27.223 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -16.768 14.963 -28.742 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -17.242 13.542 -27.807 1.00 0.00 H new ATOM 3517 N HIS Y 105 -9.022 16.615 -26.757 1.00 0.00 N ATOM 3518 CA HIS Y 105 -7.689 17.094 -26.314 1.00 0.00 C ATOM 3519 C HIS Y 105 -7.896 18.341 -25.458 1.00 0.00 C ATOM 3520 O HIS Y 105 -7.233 18.548 -24.461 1.00 0.00 O ATOM 3521 CB HIS Y 105 -6.837 17.421 -27.541 1.00 0.00 C ATOM 3522 CG HIS Y 105 -6.819 16.225 -28.454 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -7.160 14.952 -28.014 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -6.525 16.093 -29.789 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -7.067 14.120 -29.068 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -6.685 14.766 -30.170 1.00 0.00 N ATOM 0 H HIS Y 105 -9.163 16.604 -27.767 1.00 0.00 H new ATOM 0 HA HIS Y 105 -7.175 16.330 -25.731 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -7.244 18.287 -28.063 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -5.822 17.679 -27.238 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -6.217 16.896 -30.442 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -7.276 13.061 -29.026 1.00 0.00 H new ATOM 0 HE2 HIS Y 105 -6.540 14.369 -31.099 1.00 0.00 H new ATOM 3535 N LYS Y 106 -8.830 19.165 -25.844 1.00 0.00 N ATOM 3536 CA LYS Y 106 -9.120 20.402 -25.070 1.00 0.00 C ATOM 3537 C LYS Y 106 -9.536 20.020 -23.650 1.00 0.00 C ATOM 3538 O LYS Y 106 -9.275 20.740 -22.709 1.00 0.00 O ATOM 3539 CB LYS Y 106 -10.259 21.179 -25.754 1.00 0.00 C ATOM 3540 CG LYS Y 106 -10.623 22.461 -24.970 1.00 0.00 C ATOM 3541 CD LYS Y 106 -9.620 23.592 -25.263 1.00 0.00 C ATOM 3542 CE LYS Y 106 -9.730 24.052 -26.726 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -9.378 25.497 -26.812 1.00 0.00 N ATOM 0 H LYS Y 106 -9.410 19.032 -26.672 1.00 0.00 H new ATOM 0 HA LYS Y 106 -8.230 21.030 -25.031 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -9.962 21.444 -26.769 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -11.138 20.540 -25.836 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -11.629 22.783 -25.240 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -10.633 22.247 -23.901 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -9.809 24.434 -24.597 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -8.606 23.247 -25.061 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -9.062 23.464 -27.356 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -10.742 23.889 -27.096 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -9.451 25.814 -27.800 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -10.033 26.049 -26.222 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -8.405 25.638 -26.474 1.00 0.00 H new ATOM 3557 N LYS Y 107 -10.200 18.914 -23.478 1.00 0.00 N ATOM 3558 CA LYS Y 107 -10.636 18.547 -22.107 1.00 0.00 C ATOM 3559 C LYS Y 107 -9.409 18.417 -21.211 1.00 0.00 C ATOM 3560 O LYS Y 107 -9.434 18.839 -20.084 1.00 0.00 O ATOM 3561 CB LYS Y 107 -11.391 17.216 -22.121 1.00 0.00 C ATOM 3562 CG LYS Y 107 -12.735 17.378 -22.843 1.00 0.00 C ATOM 3563 CD LYS Y 107 -13.665 16.213 -22.476 1.00 0.00 C ATOM 3564 CE LYS Y 107 -12.938 14.878 -22.667 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -13.937 13.778 -22.765 1.00 0.00 N ATOM 0 H LYS Y 107 -10.456 18.258 -24.215 1.00 0.00 H new ATOM 0 HA LYS Y 107 -11.300 19.324 -21.728 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -10.791 16.454 -22.620 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -11.557 16.873 -21.100 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -13.196 18.325 -22.564 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -12.578 17.405 -23.921 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -13.994 16.312 -21.441 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -14.559 16.241 -23.099 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -12.327 14.910 -23.569 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -12.263 14.697 -21.831 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -13.444 12.872 -22.895 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -14.502 13.743 -21.892 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -14.564 13.950 -23.577 1.00 0.00 H new ATOM 3579 N LEU Y 108 -8.333 17.851 -21.698 1.00 0.00 N ATOM 3580 CA LEU Y 108 -7.106 17.722 -20.842 1.00 0.00 C ATOM 3581 C LEU Y 108 -6.508 19.117 -20.599 1.00 0.00 C ATOM 3582 O LEU Y 108 -5.890 19.379 -19.582 1.00 0.00 O ATOM 3583 CB LEU Y 108 -6.070 16.826 -21.546 1.00 0.00 C ATOM 3584 CG LEU Y 108 -4.878 16.538 -20.613 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -5.255 15.486 -19.556 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -3.702 16.006 -21.437 1.00 0.00 C ATOM 0 H LEU Y 108 -8.248 17.475 -22.642 1.00 0.00 H new ATOM 0 HA LEU Y 108 -7.375 17.270 -19.887 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -6.537 15.889 -21.848 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -5.718 17.313 -22.455 1.00 0.00 H new ATOM 0 HG LEU Y 108 -4.603 17.466 -20.112 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -4.399 15.298 -18.908 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -6.089 15.854 -18.958 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -5.545 14.560 -20.052 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -2.858 15.802 -20.778 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -3.998 15.087 -21.942 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -3.411 16.750 -22.179 1.00 0.00 H new ATOM 3598 N MET Y 109 -6.681 20.015 -21.525 1.00 0.00 N ATOM 3599 CA MET Y 109 -6.120 21.383 -21.351 1.00 0.00 C ATOM 3600 C MET Y 109 -6.686 22.022 -20.079 1.00 0.00 C ATOM 3601 O MET Y 109 -6.096 22.923 -19.519 1.00 0.00 O ATOM 3602 CB MET Y 109 -6.460 22.245 -22.568 1.00 0.00 C ATOM 3603 CG MET Y 109 -5.832 21.620 -23.813 1.00 0.00 C ATOM 3604 SD MET Y 109 -4.031 21.801 -23.732 1.00 0.00 S ATOM 3605 CE MET Y 109 -3.593 20.186 -24.426 1.00 0.00 C ATOM 0 H MET Y 109 -7.188 19.861 -22.397 1.00 0.00 H new ATOM 0 HA MET Y 109 -5.036 21.314 -21.259 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -7.541 22.317 -22.688 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -6.086 23.259 -22.427 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -6.100 20.566 -23.879 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -6.217 22.104 -24.710 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -2.508 20.089 -24.466 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -4.005 19.396 -23.798 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -4.002 20.099 -25.433 1.00 0.00 H new ATOM 3615 N PHE Y 110 -7.840 21.589 -19.639 1.00 0.00 N ATOM 3616 CA PHE Y 110 -8.463 22.197 -18.420 1.00 0.00 C ATOM 3617 C PHE Y 110 -7.397 22.486 -17.346 1.00 0.00 C ATOM 3618 O PHE Y 110 -7.339 23.573 -16.807 1.00 0.00 O ATOM 3619 CB PHE Y 110 -9.553 21.243 -17.863 1.00 0.00 C ATOM 3620 CG PHE Y 110 -9.003 20.305 -16.793 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -8.426 19.076 -17.143 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -9.091 20.667 -15.442 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -7.936 18.222 -16.152 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -8.598 19.808 -14.451 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -8.020 18.585 -14.810 1.00 0.00 C ATOM 0 H PHE Y 110 -8.380 20.839 -20.071 1.00 0.00 H new ATOM 0 HA PHE Y 110 -8.925 23.145 -18.696 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -10.369 21.831 -17.444 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -9.971 20.655 -18.680 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -8.360 18.789 -18.182 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -9.539 21.609 -15.164 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -7.491 17.277 -16.427 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -8.664 20.090 -13.410 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -7.639 17.923 -14.047 1.00 0.00 H new ATOM 3635 N LYS Y 111 -6.560 21.533 -17.019 1.00 0.00 N ATOM 3636 CA LYS Y 111 -5.525 21.793 -15.969 1.00 0.00 C ATOM 3637 C LYS Y 111 -4.343 22.564 -16.575 1.00 0.00 C ATOM 3638 O LYS Y 111 -3.639 23.266 -15.876 1.00 0.00 O ATOM 3639 CB LYS Y 111 -5.099 20.448 -15.309 1.00 0.00 C ATOM 3640 CG LYS Y 111 -3.730 19.917 -15.794 1.00 0.00 C ATOM 3641 CD LYS Y 111 -3.878 19.323 -17.195 1.00 0.00 C ATOM 3642 CE LYS Y 111 -4.750 18.052 -17.172 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -4.814 17.473 -15.797 1.00 0.00 N ATOM 0 H LYS Y 111 -6.547 20.598 -17.427 1.00 0.00 H new ATOM 0 HA LYS Y 111 -5.938 22.421 -15.180 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -5.064 20.581 -14.228 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -5.862 19.697 -15.513 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -2.999 20.725 -15.806 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -3.357 19.160 -15.104 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -4.324 20.062 -17.861 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -2.894 19.085 -17.598 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -5.756 18.290 -17.517 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -4.342 17.314 -17.863 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -5.018 16.455 -15.858 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -3.902 17.615 -15.318 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -5.567 17.945 -15.256 1.00 0.00 H new ATOM 3657 N THR Y 112 -4.107 22.452 -17.858 1.00 0.00 N ATOM 3658 CA THR Y 112 -2.956 23.206 -18.441 1.00 0.00 C ATOM 3659 C THR Y 112 -3.182 24.695 -18.197 1.00 0.00 C ATOM 3660 O THR Y 112 -2.263 25.438 -17.909 1.00 0.00 O ATOM 3661 CB THR Y 112 -2.845 22.954 -19.948 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -4.055 23.337 -20.584 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -2.563 21.475 -20.211 1.00 0.00 C ATOM 0 H THR Y 112 -4.646 21.886 -18.513 1.00 0.00 H new ATOM 0 HA THR Y 112 -2.033 22.871 -17.968 1.00 0.00 H new ATOM 0 HB THR Y 112 -2.023 23.546 -20.352 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -4.792 23.290 -19.940 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -2.486 21.305 -21.285 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -1.627 21.192 -19.730 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -3.376 20.872 -19.806 1.00 0.00 H new ATOM 3671 N GLU Y 113 -4.407 25.133 -18.292 1.00 0.00 N ATOM 3672 CA GLU Y 113 -4.705 26.568 -18.048 1.00 0.00 C ATOM 3673 CB GLU Y 113 -4.522 26.856 -16.558 1.00 0.00 C ATOM 3674 CG GLU Y 113 -5.506 25.995 -15.762 1.00 0.00 C ATOM 3675 CD GLU Y 113 -6.930 26.494 -16.015 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -7.073 27.639 -16.414 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -7.854 25.724 -15.809 1.00 0.00 O ATOM 0 H GLU Y 113 -5.214 24.556 -18.529 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -3.498 26.637 -16.255 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -4.695 27.913 -16.354 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -5.416 24.950 -16.059 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -5.274 26.045 -14.698 1.00 0.00 H new