USER MOD reduce.3.24.130724 H: found=0, std=0, add=1426, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1422 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 NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : B 94 ZNZN :(H bumps) USER MOD NoAdj-H: B 85 HIS HE2 : B 85 HIS NE2 : A 94 ZNZN :(H bumps) USER MOD Set 1.1: B 17 TYR OH : rot -137:sc= 1.15 USER MOD Set 1.2: B 38 ASN :FLIP amide:sc= -0.819 F(o=-1.7,f=0.33) USER MOD Set 2.1: A 74 MET CE :methyl -173:sc= -1.34! (180deg=-1.34!) USER MOD Set 2.2: B 74 MET CE :methyl -177:sc= -1.42! (180deg=-1.43!) USER MOD Set 3.1: A 17 TYR OH : rot -139:sc= 1.1 USER MOD Set 3.2: A 38 ASN :FLIP amide:sc= -0.898! F(o=-1.6,f=0.2!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 164:sc= -0.116 (180deg=-0.678) USER MOD Single : A 1 SER OG : rot -120:sc= -0.635 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 153:sc= -1.3 (180deg=-3.52) USER MOD Single : A 15 HIS : no HE2:sc= -2.52 K(o=-2.5,f=-3.2!) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 18 SER OG : rot 119:sc= 2.09 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00895) USER MOD Single : A 25 HIS : no HE2:sc= -4.67! C(o=-4.7!,f=-5.6!) USER MOD Single : A 26 LYS NZ :NH3+ 132:sc= -0.445! (180deg=-3.91!) USER MOD Single : A 28 LYS NZ :NH3+ -111:sc= -0.95 (180deg=-2.89!) USER MOD Single : A 29 LYS NZ :NH3+ -148:sc= -0.256 (180deg=-1.19) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.47! C(o=-2.5!,f=-4.6!) USER MOD Single : A 41 SER OG : rot -160:sc= 0.314 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 165:sc= -0.205 (180deg=-0.768) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -36:sc= -2.11! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -55:sc= -0.777 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 81:sc= 0.433 USER MOD Single : A 82 THR OG1 : rot -9:sc= -1.38 USER MOD Single : A 84 CYS SG : rot 61:sc= 1.1 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ 160:sc= -0.0725 (180deg=-0.689) USER MOD Single : B 1 SER OG : rot 91:sc= -0.545 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl 156:sc= -1.26 (180deg=-3.44) USER MOD Single : B 15 HIS : no HE2:sc= -2.17 K(o=-2.2,f=-2.8!) USER MOD Single : B 16 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : B 18 SER OG : rot 118:sc= 2.02 USER MOD Single : B 24 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00561) USER MOD Single : B 25 HIS : no HE2:sc= -4.75! C(o=-4.8!,f=-5.6!) USER MOD Single : B 26 LYS NZ :NH3+ 142:sc= -0.488! (180deg=-3.89!) USER MOD Single : B 28 LYS NZ :NH3+ -114:sc= -0.939 (180deg=-2.88!) USER MOD Single : B 29 LYS NZ :NH3+ -154:sc= -0.227 (180deg=-1.11) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -2.54! C(o=-2.5!,f=-4.9!) USER MOD Single : B 41 SER OG : rot -159:sc= 0.273 USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl 167:sc= -0.193 (180deg=-0.789) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot -41:sc= -2.15! USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 78 SER OG : rot -57:sc= -0.581 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 THR OG1 : rot 79:sc= 0.525 USER MOD Single : B 82 THR OG1 : rot -6:sc= -1.48 USER MOD Single : B 84 CYS SG : rot 66:sc= 1.01 USER MOD Single : B 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -9.197 7.740 14.265 1.00 0.00 N ATOM 2 CA MET A 0 -7.944 6.943 14.142 1.00 0.00 C ATOM 3 C MET A 0 -8.281 5.450 14.222 1.00 0.00 C ATOM 4 O MET A 0 -8.396 4.891 15.295 1.00 0.00 O ATOM 5 CB MET A 0 -6.987 7.325 15.279 1.00 0.00 C ATOM 6 CG MET A 0 -7.785 7.573 16.560 1.00 0.00 C ATOM 7 SD MET A 0 -6.651 7.652 17.970 1.00 0.00 S ATOM 8 CE MET A 0 -7.884 8.053 19.233 1.00 0.00 C ATOM 0 H1 MET A 0 -8.959 8.729 14.482 1.00 0.00 H new ATOM 0 H2 MET A 0 -9.724 7.699 13.369 1.00 0.00 H new ATOM 0 H3 MET A 0 -9.784 7.349 15.029 1.00 0.00 H new ATOM 0 HA MET A 0 -7.466 7.151 13.185 1.00 0.00 H new ATOM 0 HB2 MET A 0 -6.261 6.528 15.440 1.00 0.00 H new ATOM 0 HB3 MET A 0 -6.425 8.219 15.010 1.00 0.00 H new ATOM 0 HG2 MET A 0 -8.346 8.504 16.478 1.00 0.00 H new ATOM 0 HG3 MET A 0 -8.512 6.775 16.709 1.00 0.00 H new ATOM 0 HE1 MET A 0 -7.394 8.150 20.202 1.00 0.00 H new ATOM 0 HE2 MET A 0 -8.373 8.993 18.978 1.00 0.00 H new ATOM 0 HE3 MET A 0 -8.628 7.258 19.280 1.00 0.00 H new ATOM 20 N SER A 1 -8.447 4.803 13.092 1.00 0.00 N ATOM 21 CA SER A 1 -8.787 3.344 13.089 1.00 0.00 C ATOM 22 C SER A 1 -7.584 2.523 12.620 1.00 0.00 C ATOM 23 O SER A 1 -6.513 3.043 12.374 1.00 0.00 O ATOM 24 CB SER A 1 -9.961 3.105 12.142 1.00 0.00 C ATOM 25 OG SER A 1 -9.758 3.850 10.950 1.00 0.00 O ATOM 0 H SER A 1 -8.361 5.225 12.167 1.00 0.00 H new ATOM 0 HA SER A 1 -9.054 3.037 14.100 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.047 2.043 11.911 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.895 3.405 12.618 1.00 0.00 H new ATOM 0 HG SER A 1 -10.498 4.481 10.829 1.00 0.00 H new ATOM 31 N GLU A 2 -7.769 1.238 12.493 1.00 0.00 N ATOM 32 CA GLU A 2 -6.656 0.356 12.041 1.00 0.00 C ATOM 33 C GLU A 2 -6.008 0.952 10.792 1.00 0.00 C ATOM 34 O GLU A 2 -4.828 0.784 10.552 1.00 0.00 O ATOM 35 CB GLU A 2 -7.208 -1.033 11.711 1.00 0.00 C ATOM 36 CG GLU A 2 -7.557 -1.764 13.008 1.00 0.00 C ATOM 37 CD GLU A 2 -8.324 -3.047 12.684 1.00 0.00 C ATOM 38 OE1 GLU A 2 -9.318 -2.959 11.984 1.00 0.00 O ATOM 39 OE2 GLU A 2 -7.903 -4.096 13.143 1.00 0.00 O ATOM 0 H GLU A 2 -8.649 0.758 12.684 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.913 0.275 12.834 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.093 -0.944 11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.471 -1.604 11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.647 -2.002 13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.159 -1.120 13.649 1.00 0.00 H new ATOM 46 N LEU A 3 -6.770 1.641 9.990 1.00 0.00 N ATOM 47 CA LEU A 3 -6.188 2.236 8.751 1.00 0.00 C ATOM 48 C LEU A 3 -5.358 3.473 9.123 1.00 0.00 C ATOM 49 O LEU A 3 -4.467 3.867 8.401 1.00 0.00 O ATOM 50 CB LEU A 3 -7.325 2.614 7.766 1.00 0.00 C ATOM 51 CG LEU A 3 -7.494 1.512 6.695 1.00 0.00 C ATOM 52 CD1 LEU A 3 -8.873 1.612 6.035 1.00 0.00 C ATOM 53 CD2 LEU A 3 -6.417 1.658 5.609 1.00 0.00 C ATOM 0 H LEU A 3 -7.764 1.818 10.135 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.538 1.510 8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.259 2.747 8.312 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.098 3.566 7.286 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.395 0.545 7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.975 0.829 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.648 1.492 6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.979 2.587 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.547 0.876 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.510 2.634 5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.429 1.567 6.061 1.00 0.00 H new ATOM 65 N GLU A 4 -5.629 4.078 10.246 1.00 0.00 N ATOM 66 CA GLU A 4 -4.838 5.274 10.655 1.00 0.00 C ATOM 67 C GLU A 4 -3.532 4.804 11.296 1.00 0.00 C ATOM 68 O GLU A 4 -2.524 5.480 11.251 1.00 0.00 O ATOM 69 CB GLU A 4 -5.643 6.106 11.659 1.00 0.00 C ATOM 70 CG GLU A 4 -4.767 7.234 12.233 1.00 0.00 C ATOM 71 CD GLU A 4 -3.925 6.718 13.407 1.00 0.00 C ATOM 72 OE1 GLU A 4 -4.056 5.552 13.746 1.00 0.00 O ATOM 73 OE2 GLU A 4 -3.164 7.501 13.949 1.00 0.00 O ATOM 0 H GLU A 4 -6.362 3.797 10.897 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.618 5.891 9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.521 6.529 11.171 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.003 5.468 12.466 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.113 7.626 11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.398 8.059 12.565 1.00 0.00 H new ATOM 80 N LYS A 5 -3.549 3.641 11.886 1.00 0.00 N ATOM 81 CA LYS A 5 -2.318 3.103 12.527 1.00 0.00 C ATOM 82 C LYS A 5 -1.318 2.725 11.434 1.00 0.00 C ATOM 83 O LYS A 5 -0.144 3.025 11.519 1.00 0.00 O ATOM 84 CB LYS A 5 -2.688 1.859 13.358 1.00 0.00 C ATOM 85 CG LYS A 5 -3.130 2.284 14.772 1.00 0.00 C ATOM 86 CD LYS A 5 -4.046 1.205 15.412 1.00 0.00 C ATOM 87 CE LYS A 5 -5.520 1.624 15.307 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.829 2.616 16.377 1.00 0.00 N ATOM 0 H LYS A 5 -4.368 3.037 11.952 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.872 3.852 13.182 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.491 1.309 12.867 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.833 1.186 13.422 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.253 2.442 15.400 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.661 3.235 14.721 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.897 0.248 14.911 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.775 1.063 16.458 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.718 2.057 14.326 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.166 0.752 15.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.827 2.901 16.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.655 2.187 17.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.221 3.452 16.262 1.00 0.00 H new ATOM 102 N ALA A 6 -1.779 2.071 10.406 1.00 0.00 N ATOM 103 CA ALA A 6 -0.860 1.675 9.305 1.00 0.00 C ATOM 104 C ALA A 6 -0.295 2.925 8.645 1.00 0.00 C ATOM 105 O ALA A 6 0.893 3.035 8.411 1.00 0.00 O ATOM 106 CB ALA A 6 -1.625 0.851 8.266 1.00 0.00 C ATOM 0 H ALA A 6 -2.753 1.794 10.281 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.045 1.076 9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.949 0.563 7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.030 -0.044 8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.441 1.447 7.858 1.00 0.00 H new ATOM 112 N MET A 7 -1.133 3.871 8.346 1.00 0.00 N ATOM 113 CA MET A 7 -0.638 5.115 7.705 1.00 0.00 C ATOM 114 C MET A 7 0.485 5.701 8.557 1.00 0.00 C ATOM 115 O MET A 7 1.492 6.151 8.056 1.00 0.00 O ATOM 116 CB MET A 7 -1.765 6.149 7.625 1.00 0.00 C ATOM 117 CG MET A 7 -2.859 5.696 6.659 1.00 0.00 C ATOM 118 SD MET A 7 -4.386 6.583 7.068 1.00 0.00 S ATOM 119 CE MET A 7 -5.545 5.573 6.116 1.00 0.00 C ATOM 0 H MET A 7 -2.138 3.838 8.517 1.00 0.00 H new ATOM 0 HA MET A 7 -0.281 4.879 6.702 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.192 6.304 8.616 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.361 7.107 7.299 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.565 5.902 5.630 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.013 4.620 6.738 1.00 0.00 H new ATOM 0 HE1 MET A 7 -6.532 5.622 6.575 1.00 0.00 H new ATOM 0 HE2 MET A 7 -5.601 5.949 5.094 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.201 4.539 6.104 1.00 0.00 H new ATOM 129 N VAL A 8 0.307 5.711 9.848 1.00 0.00 N ATOM 130 CA VAL A 8 1.352 6.289 10.743 1.00 0.00 C ATOM 131 C VAL A 8 2.611 5.421 10.701 1.00 0.00 C ATOM 132 O VAL A 8 3.705 5.906 10.488 1.00 0.00 O ATOM 133 CB VAL A 8 0.805 6.356 12.175 1.00 0.00 C ATOM 134 CG1 VAL A 8 1.941 6.643 13.164 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.239 7.473 12.263 1.00 0.00 C ATOM 0 H VAL A 8 -0.517 5.344 10.324 1.00 0.00 H new ATOM 0 HA VAL A 8 1.610 7.293 10.406 1.00 0.00 H new ATOM 0 HB VAL A 8 0.349 5.399 12.428 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.539 6.688 14.176 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.685 5.849 13.104 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.407 7.597 12.916 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.631 7.525 13.279 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.224 8.425 12.003 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.054 7.265 11.570 1.00 0.00 H new ATOM 145 N ALA A 9 2.465 4.149 10.915 1.00 0.00 N ATOM 146 CA ALA A 9 3.654 3.256 10.904 1.00 0.00 C ATOM 147 C ALA A 9 4.398 3.378 9.567 1.00 0.00 C ATOM 148 O ALA A 9 5.603 3.218 9.502 1.00 0.00 O ATOM 149 CB ALA A 9 3.204 1.809 11.103 1.00 0.00 C ATOM 0 H ALA A 9 1.574 3.686 11.097 1.00 0.00 H new ATOM 0 HA ALA A 9 4.325 3.550 11.711 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.074 1.153 11.095 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.688 1.716 12.059 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.528 1.524 10.297 1.00 0.00 H new ATOM 155 N LEU A 10 3.699 3.644 8.495 1.00 0.00 N ATOM 156 CA LEU A 10 4.386 3.746 7.176 1.00 0.00 C ATOM 157 C LEU A 10 5.074 5.110 7.024 1.00 0.00 C ATOM 158 O LEU A 10 6.203 5.188 6.607 1.00 0.00 O ATOM 159 CB LEU A 10 3.344 3.543 6.063 1.00 0.00 C ATOM 160 CG LEU A 10 3.111 2.024 5.824 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.634 1.760 5.504 1.00 0.00 C ATOM 162 CD2 LEU A 10 3.977 1.539 4.652 1.00 0.00 C ATOM 0 H LEU A 10 2.690 3.794 8.476 1.00 0.00 H new ATOM 0 HA LEU A 10 5.156 2.978 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.406 4.024 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.686 4.016 5.143 1.00 0.00 H new ATOM 0 HG LEU A 10 3.387 1.483 6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.483 0.693 5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.016 2.089 6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.352 2.310 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.808 0.474 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.710 2.089 3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.029 1.709 4.882 1.00 0.00 H new ATOM 174 N ILE A 11 4.409 6.178 7.356 1.00 0.00 N ATOM 175 CA ILE A 11 5.033 7.530 7.215 1.00 0.00 C ATOM 176 C ILE A 11 6.447 7.509 7.804 1.00 0.00 C ATOM 177 O ILE A 11 7.335 8.190 7.330 1.00 0.00 O ATOM 178 CB ILE A 11 4.179 8.575 7.952 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.905 8.832 7.148 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.957 9.889 8.093 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.914 9.640 7.987 1.00 0.00 C ATOM 0 H ILE A 11 3.456 6.178 7.721 1.00 0.00 H new ATOM 0 HA ILE A 11 5.088 7.793 6.158 1.00 0.00 H new ATOM 0 HB ILE A 11 3.930 8.200 8.945 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.145 9.373 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.455 7.885 6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.342 10.621 8.616 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.871 9.712 8.659 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.211 10.269 7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.008 9.819 7.408 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.663 9.083 8.890 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.364 10.594 8.262 1.00 0.00 H new ATOM 193 N ASP A 12 6.662 6.746 8.837 1.00 0.00 N ATOM 194 CA ASP A 12 8.019 6.702 9.452 1.00 0.00 C ATOM 195 C ASP A 12 8.971 5.901 8.565 1.00 0.00 C ATOM 196 O ASP A 12 10.040 6.361 8.216 1.00 0.00 O ATOM 197 CB ASP A 12 7.935 6.047 10.832 1.00 0.00 C ATOM 198 CG ASP A 12 6.975 6.842 11.717 1.00 0.00 C ATOM 199 OD1 ASP A 12 6.848 8.035 11.496 1.00 0.00 O ATOM 200 OD2 ASP A 12 6.384 6.245 12.602 1.00 0.00 O ATOM 0 H ASP A 12 5.961 6.153 9.282 1.00 0.00 H new ATOM 0 HA ASP A 12 8.396 7.720 9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.590 5.017 10.737 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.923 6.011 11.290 1.00 0.00 H new ATOM 205 N VAL A 13 8.596 4.710 8.194 1.00 0.00 N ATOM 206 CA VAL A 13 9.489 3.893 7.325 1.00 0.00 C ATOM 207 C VAL A 13 9.412 4.414 5.887 1.00 0.00 C ATOM 208 O VAL A 13 10.326 4.246 5.104 1.00 0.00 O ATOM 209 CB VAL A 13 9.068 2.415 7.383 1.00 0.00 C ATOM 210 CG1 VAL A 13 10.211 1.520 6.889 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.731 2.044 8.829 1.00 0.00 C ATOM 0 H VAL A 13 7.714 4.268 8.453 1.00 0.00 H new ATOM 0 HA VAL A 13 10.517 3.974 7.679 1.00 0.00 H new ATOM 0 HB VAL A 13 8.197 2.268 6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.901 0.476 6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.458 1.780 5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.087 1.667 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.432 0.997 8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.607 2.199 9.458 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.913 2.671 9.184 1.00 0.00 H new ATOM 221 N PHE A 14 8.322 5.039 5.531 1.00 0.00 N ATOM 222 CA PHE A 14 8.192 5.558 4.136 1.00 0.00 C ATOM 223 C PHE A 14 9.150 6.739 3.917 1.00 0.00 C ATOM 224 O PHE A 14 9.805 6.832 2.899 1.00 0.00 O ATOM 225 CB PHE A 14 6.740 6.003 3.881 1.00 0.00 C ATOM 226 CG PHE A 14 6.669 6.920 2.673 1.00 0.00 C ATOM 227 CD1 PHE A 14 7.252 6.533 1.461 1.00 0.00 C ATOM 228 CD2 PHE A 14 6.028 8.163 2.773 1.00 0.00 C ATOM 229 CE1 PHE A 14 7.195 7.386 0.352 1.00 0.00 C ATOM 230 CE2 PHE A 14 5.974 9.015 1.667 1.00 0.00 C ATOM 231 CZ PHE A 14 6.557 8.628 0.456 1.00 0.00 C ATOM 0 H PHE A 14 7.521 5.212 6.139 1.00 0.00 H new ATOM 0 HA PHE A 14 8.452 4.764 3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.109 5.129 3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.352 6.518 4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.746 5.576 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.575 8.462 3.707 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.643 7.086 -0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.482 9.973 1.747 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.515 9.287 -0.399 1.00 0.00 H new ATOM 241 N HIS A 15 9.211 7.657 4.840 1.00 0.00 N ATOM 242 CA HIS A 15 10.096 8.845 4.650 1.00 0.00 C ATOM 243 C HIS A 15 11.566 8.489 4.924 1.00 0.00 C ATOM 244 O HIS A 15 12.460 9.008 4.290 1.00 0.00 O ATOM 245 CB HIS A 15 9.643 9.960 5.609 1.00 0.00 C ATOM 246 CG HIS A 15 10.000 11.323 5.061 1.00 0.00 C ATOM 247 ND1 HIS A 15 9.541 12.489 5.654 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.752 11.728 3.980 1.00 0.00 C ATOM 249 CE1 HIS A 15 10.011 13.524 4.938 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.754 13.117 3.907 1.00 0.00 N ATOM 0 H HIS A 15 8.689 7.639 5.716 1.00 0.00 H new ATOM 0 HA HIS A 15 10.019 9.182 3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.566 9.897 5.763 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.113 9.821 6.582 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.952 12.550 6.485 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.262 11.068 3.294 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.812 14.560 5.169 1.00 0.00 H new ATOM 258 N GLN A 16 11.828 7.634 5.872 1.00 0.00 N ATOM 259 CA GLN A 16 13.246 7.284 6.189 1.00 0.00 C ATOM 260 C GLN A 16 13.893 6.501 5.037 1.00 0.00 C ATOM 261 O GLN A 16 15.026 6.748 4.661 1.00 0.00 O ATOM 262 CB GLN A 16 13.284 6.436 7.462 1.00 0.00 C ATOM 263 CG GLN A 16 13.000 7.325 8.674 1.00 0.00 C ATOM 264 CD GLN A 16 12.802 6.453 9.915 1.00 0.00 C ATOM 265 OE1 GLN A 16 13.254 5.228 9.916 1.00 0.00 O flip ATOM 266 NE2 GLN A 16 12.232 6.890 10.895 1.00 0.00 N flip ATOM 0 H GLN A 16 11.126 7.162 6.441 1.00 0.00 H new ATOM 0 HA GLN A 16 13.806 8.208 6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.545 5.637 7.402 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.259 5.961 7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.827 8.017 8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.110 7.928 8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.879 7.847 10.895 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.107 6.300 11.718 1.00 0.00 H new ATOM 275 N TYR A 17 13.190 5.570 4.457 1.00 0.00 N ATOM 276 CA TYR A 17 13.791 4.792 3.334 1.00 0.00 C ATOM 277 C TYR A 17 13.609 5.562 2.032 1.00 0.00 C ATOM 278 O TYR A 17 14.570 5.930 1.391 1.00 0.00 O ATOM 279 CB TYR A 17 13.124 3.413 3.252 1.00 0.00 C ATOM 280 CG TYR A 17 13.735 2.507 4.300 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.254 2.528 5.614 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.796 1.658 3.958 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.830 1.699 6.586 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.374 0.832 4.930 1.00 0.00 C ATOM 285 CZ TYR A 17 14.892 0.852 6.244 1.00 0.00 C ATOM 286 OH TYR A 17 15.461 0.037 7.201 1.00 0.00 O ATOM 0 H TYR A 17 12.235 5.314 4.707 1.00 0.00 H new ATOM 0 HA TYR A 17 14.858 4.650 3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.050 3.504 3.413 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.262 2.986 2.259 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.438 3.184 5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.168 1.641 2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.455 1.713 7.599 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.192 0.179 4.666 1.00 0.00 H new ATOM 0 HH TYR A 17 16.435 0.031 7.089 1.00 0.00 H new ATOM 296 N SER A 18 12.400 5.847 1.643 1.00 0.00 N ATOM 297 CA SER A 18 12.211 6.631 0.392 1.00 0.00 C ATOM 298 C SER A 18 13.072 7.896 0.492 1.00 0.00 C ATOM 299 O SER A 18 13.392 8.527 -0.495 1.00 0.00 O ATOM 300 CB SER A 18 10.739 7.020 0.240 1.00 0.00 C ATOM 301 OG SER A 18 9.924 5.905 0.577 1.00 0.00 O ATOM 0 H SER A 18 11.545 5.576 2.128 1.00 0.00 H new ATOM 0 HA SER A 18 12.505 6.038 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.505 7.865 0.887 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.538 7.337 -0.783 1.00 0.00 H new ATOM 0 HG SER A 18 9.358 6.133 1.344 1.00 0.00 H new ATOM 307 N GLY A 19 13.439 8.269 1.698 1.00 0.00 N ATOM 308 CA GLY A 19 14.273 9.496 1.908 1.00 0.00 C ATOM 309 C GLY A 19 15.748 9.126 2.102 1.00 0.00 C ATOM 310 O GLY A 19 16.572 9.976 2.377 1.00 0.00 O ATOM 0 H GLY A 19 13.193 7.770 2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.170 10.162 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.913 10.041 2.780 1.00 0.00 H new ATOM 314 N ARG A 20 16.098 7.876 1.970 1.00 0.00 N ATOM 315 CA ARG A 20 17.526 7.482 2.153 1.00 0.00 C ATOM 316 C ARG A 20 18.371 7.906 0.945 1.00 0.00 C ATOM 317 O ARG A 20 19.434 8.474 1.100 1.00 0.00 O ATOM 318 CB ARG A 20 17.617 5.963 2.307 1.00 0.00 C ATOM 319 CG ARG A 20 19.021 5.564 2.779 1.00 0.00 C ATOM 320 CD ARG A 20 19.231 4.066 2.541 1.00 0.00 C ATOM 321 NE ARG A 20 20.442 3.606 3.277 1.00 0.00 N ATOM 322 CZ ARG A 20 20.414 3.498 4.577 1.00 0.00 C ATOM 323 NH1 ARG A 20 19.330 3.806 5.234 1.00 0.00 N ATOM 324 NH2 ARG A 20 21.472 3.081 5.220 1.00 0.00 N ATOM 0 H ARG A 20 15.461 7.112 1.744 1.00 0.00 H new ATOM 0 HA ARG A 20 17.907 7.980 3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.872 5.617 3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.393 5.479 1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.775 6.138 2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.140 5.796 3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.356 3.509 2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.345 3.870 1.475 1.00 0.00 H new ATOM 0 HE ARG A 20 21.293 3.375 2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.504 4.131 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.308 3.722 6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.319 2.840 4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 20 21.451 2.996 6.236 1.00 0.00 H new ATOM 338 N GLU A 21 17.931 7.602 -0.252 1.00 0.00 N ATOM 339 CA GLU A 21 18.736 7.951 -1.471 1.00 0.00 C ATOM 340 C GLU A 21 17.824 8.561 -2.547 1.00 0.00 C ATOM 341 O GLU A 21 16.616 8.433 -2.497 1.00 0.00 O ATOM 342 CB GLU A 21 19.388 6.650 -1.981 1.00 0.00 C ATOM 343 CG GLU A 21 19.889 6.804 -3.424 1.00 0.00 C ATOM 344 CD GLU A 21 20.979 5.767 -3.710 1.00 0.00 C ATOM 345 OE1 GLU A 21 22.025 5.848 -3.085 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.750 4.909 -4.547 1.00 0.00 O ATOM 0 H GLU A 21 17.048 7.127 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 21 19.503 8.688 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.221 6.380 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 21 18.666 5.835 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.061 6.676 -4.121 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.282 7.809 -3.577 1.00 0.00 H new ATOM 353 N GLY A 22 18.399 9.225 -3.519 1.00 0.00 N ATOM 354 CA GLY A 22 17.578 9.841 -4.605 1.00 0.00 C ATOM 355 C GLY A 22 17.062 11.208 -4.160 1.00 0.00 C ATOM 356 O GLY A 22 17.414 11.704 -3.109 1.00 0.00 O ATOM 0 H GLY A 22 19.405 9.367 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.177 9.946 -5.509 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.740 9.190 -4.852 1.00 0.00 H new ATOM 360 N ASP A 23 16.210 11.815 -4.945 1.00 0.00 N ATOM 361 CA ASP A 23 15.653 13.141 -4.555 1.00 0.00 C ATOM 362 C ASP A 23 14.616 12.923 -3.455 1.00 0.00 C ATOM 363 O ASP A 23 13.624 13.618 -3.372 1.00 0.00 O ATOM 364 CB ASP A 23 14.990 13.798 -5.766 1.00 0.00 C ATOM 365 CG ASP A 23 15.965 13.797 -6.945 1.00 0.00 C ATOM 366 OD1 ASP A 23 16.544 12.756 -7.208 1.00 0.00 O ATOM 367 OD2 ASP A 23 16.118 14.838 -7.562 1.00 0.00 O ATOM 0 H ASP A 23 15.877 11.449 -5.837 1.00 0.00 H new ATOM 0 HA ASP A 23 16.450 13.791 -4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.080 13.260 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.697 14.819 -5.524 1.00 0.00 H new ATOM 372 N LYS A 24 14.862 11.952 -2.616 1.00 0.00 N ATOM 373 CA LYS A 24 13.943 11.611 -1.491 1.00 0.00 C ATOM 374 C LYS A 24 12.479 11.566 -1.948 1.00 0.00 C ATOM 375 O LYS A 24 12.148 11.884 -3.070 1.00 0.00 O ATOM 376 CB LYS A 24 14.124 12.585 -0.310 1.00 0.00 C ATOM 377 CG LYS A 24 13.817 14.029 -0.718 1.00 0.00 C ATOM 378 CD LYS A 24 13.777 14.904 0.539 1.00 0.00 C ATOM 379 CE LYS A 24 13.464 16.352 0.151 1.00 0.00 C ATOM 380 NZ LYS A 24 14.695 16.999 -0.385 1.00 0.00 N ATOM 0 H LYS A 24 15.692 11.361 -2.667 1.00 0.00 H new ATOM 0 HA LYS A 24 14.209 10.611 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.468 12.290 0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.147 12.521 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.577 14.395 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.862 14.078 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.021 14.531 1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.734 14.855 1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.672 16.376 -0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.099 16.902 1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.506 18.005 -0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.463 16.913 0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.975 16.531 -1.271 1.00 0.00 H new ATOM 394 N HIS A 25 11.612 11.113 -1.080 1.00 0.00 N ATOM 395 CA HIS A 25 10.165 10.980 -1.428 1.00 0.00 C ATOM 396 C HIS A 25 10.002 9.940 -2.532 1.00 0.00 C ATOM 397 O HIS A 25 8.904 9.662 -2.972 1.00 0.00 O ATOM 398 CB HIS A 25 9.583 12.322 -1.891 1.00 0.00 C ATOM 399 CG HIS A 25 9.992 13.422 -0.949 1.00 0.00 C ATOM 400 ND1 HIS A 25 10.068 13.240 0.428 1.00 0.00 N ATOM 401 CD2 HIS A 25 10.333 14.734 -1.171 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.441 14.414 0.971 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.613 15.352 0.040 1.00 0.00 N ATOM 0 H HIS A 25 11.849 10.825 -0.131 1.00 0.00 H new ATOM 0 HA HIS A 25 9.623 10.663 -0.537 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.931 12.549 -2.899 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.496 12.258 -1.936 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.876 12.375 0.934 1.00 0.00 H new ATOM 0 HD2 HIS A 25 10.377 15.211 -2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.583 14.576 2.029 1.00 0.00 H new ATOM 411 N LYS A 26 11.085 9.352 -2.978 1.00 0.00 N ATOM 412 CA LYS A 26 11.017 8.314 -4.047 1.00 0.00 C ATOM 413 C LYS A 26 11.714 7.055 -3.535 1.00 0.00 C ATOM 414 O LYS A 26 12.707 7.124 -2.837 1.00 0.00 O ATOM 415 CB LYS A 26 11.760 8.825 -5.290 1.00 0.00 C ATOM 416 CG LYS A 26 10.831 9.713 -6.133 1.00 0.00 C ATOM 417 CD LYS A 26 9.984 8.841 -7.082 1.00 0.00 C ATOM 418 CE LYS A 26 8.674 9.560 -7.407 1.00 0.00 C ATOM 419 NZ LYS A 26 8.039 8.922 -8.595 1.00 0.00 N ATOM 0 H LYS A 26 12.026 9.552 -2.640 1.00 0.00 H new ATOM 0 HA LYS A 26 9.979 8.099 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.642 9.391 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.110 7.982 -5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.179 10.293 -5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.421 10.425 -6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.538 8.640 -7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.776 7.877 -6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.000 9.514 -6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.865 10.615 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.034 8.742 -8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.122 9.556 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.517 8.022 -8.803 1.00 0.00 H new ATOM 433 N LEU A 27 11.200 5.908 -3.869 1.00 0.00 N ATOM 434 CA LEU A 27 11.834 4.639 -3.394 1.00 0.00 C ATOM 435 C LEU A 27 12.896 4.181 -4.406 1.00 0.00 C ATOM 436 O LEU A 27 12.612 3.944 -5.566 1.00 0.00 O ATOM 437 CB LEU A 27 10.742 3.568 -3.233 1.00 0.00 C ATOM 438 CG LEU A 27 11.213 2.391 -2.350 1.00 0.00 C ATOM 439 CD1 LEU A 27 12.353 1.635 -3.031 1.00 0.00 C ATOM 440 CD2 LEU A 27 11.645 2.882 -0.956 1.00 0.00 C ATOM 0 H LEU A 27 10.370 5.788 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 27 12.322 4.800 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.853 4.019 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.455 3.192 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 27 10.373 1.709 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.673 0.809 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.009 1.244 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.191 2.312 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.972 2.033 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.466 3.591 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.803 3.370 -0.465 1.00 0.00 H new ATOM 452 N LYS A 28 14.125 4.062 -3.956 1.00 0.00 N ATOM 453 CA LYS A 28 15.252 3.632 -4.834 1.00 0.00 C ATOM 454 C LYS A 28 15.608 2.168 -4.521 1.00 0.00 C ATOM 455 O LYS A 28 15.488 1.725 -3.402 1.00 0.00 O ATOM 456 CB LYS A 28 16.476 4.529 -4.542 1.00 0.00 C ATOM 457 CG LYS A 28 16.022 5.916 -4.056 1.00 0.00 C ATOM 458 CD LYS A 28 15.368 6.686 -5.209 1.00 0.00 C ATOM 459 CE LYS A 28 16.420 7.061 -6.269 1.00 0.00 C ATOM 460 NZ LYS A 28 16.477 5.998 -7.313 1.00 0.00 N ATOM 0 H LYS A 28 14.395 4.251 -2.991 1.00 0.00 H new ATOM 0 HA LYS A 28 14.966 3.720 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.106 4.060 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.082 4.633 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.316 5.809 -3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.876 6.474 -3.673 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.586 6.078 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.890 7.588 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.168 8.019 -6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.397 7.178 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.382 5.491 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.694 5.329 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.395 6.432 -8.255 1.00 0.00 H new ATOM 474 N LYS A 29 16.054 1.414 -5.488 1.00 0.00 N ATOM 475 CA LYS A 29 16.417 -0.011 -5.208 1.00 0.00 C ATOM 476 C LYS A 29 17.265 -0.089 -3.927 1.00 0.00 C ATOM 477 O LYS A 29 17.019 -0.901 -3.057 1.00 0.00 O ATOM 478 CB LYS A 29 17.220 -0.574 -6.387 1.00 0.00 C ATOM 479 CG LYS A 29 16.320 -0.674 -7.626 1.00 0.00 C ATOM 480 CD LYS A 29 16.952 -1.613 -8.663 1.00 0.00 C ATOM 481 CE LYS A 29 18.218 -0.976 -9.245 1.00 0.00 C ATOM 482 NZ LYS A 29 17.907 0.395 -9.739 1.00 0.00 N ATOM 0 H LYS A 29 16.183 1.716 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 29 15.507 -0.595 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.074 0.069 -6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.616 -1.557 -6.133 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.335 -1.045 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.175 0.315 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.196 -2.569 -8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.239 -1.819 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.997 -0.931 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.603 -1.588 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.509 0.614 -10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.907 0.444 -10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.087 1.086 -8.983 1.00 0.00 H new ATOM 496 N SER A 30 18.260 0.748 -3.809 1.00 0.00 N ATOM 497 CA SER A 30 19.125 0.723 -2.590 1.00 0.00 C ATOM 498 C SER A 30 18.258 0.795 -1.329 1.00 0.00 C ATOM 499 O SER A 30 18.715 0.522 -0.242 1.00 0.00 O ATOM 500 CB SER A 30 20.080 1.917 -2.615 1.00 0.00 C ATOM 501 OG SER A 30 21.078 1.701 -3.603 1.00 0.00 O ATOM 0 H SER A 30 18.513 1.450 -4.504 1.00 0.00 H new ATOM 0 HA SER A 30 19.696 -0.205 -2.580 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.530 2.833 -2.832 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.543 2.047 -1.637 1.00 0.00 H new ATOM 0 HG SER A 30 21.690 2.466 -3.622 1.00 0.00 H new ATOM 507 N GLU A 31 16.999 1.111 -1.477 1.00 0.00 N ATOM 508 CA GLU A 31 16.085 1.149 -0.295 1.00 0.00 C ATOM 509 C GLU A 31 15.246 -0.108 -0.325 1.00 0.00 C ATOM 510 O GLU A 31 14.978 -0.713 0.686 1.00 0.00 O ATOM 511 CB GLU A 31 15.208 2.395 -0.353 1.00 0.00 C ATOM 512 CG GLU A 31 16.023 3.631 0.089 1.00 0.00 C ATOM 513 CD GLU A 31 15.606 4.863 -0.727 1.00 0.00 C ATOM 514 OE1 GLU A 31 14.466 4.903 -1.161 1.00 0.00 O ATOM 515 OE2 GLU A 31 16.434 5.741 -0.902 1.00 0.00 O ATOM 0 H GLU A 31 16.562 1.345 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 31 16.653 1.193 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.832 2.539 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.340 2.270 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.865 3.819 1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.088 3.440 -0.046 1.00 0.00 H new ATOM 522 N LEU A 32 14.854 -0.524 -1.490 1.00 0.00 N ATOM 523 CA LEU A 32 14.053 -1.767 -1.586 1.00 0.00 C ATOM 524 C LEU A 32 14.918 -2.927 -1.095 1.00 0.00 C ATOM 525 O LEU A 32 14.610 -3.570 -0.118 1.00 0.00 O ATOM 526 CB LEU A 32 13.605 -1.987 -3.053 1.00 0.00 C ATOM 527 CG LEU A 32 12.147 -2.481 -3.111 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.661 -2.513 -4.571 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.064 -3.885 -2.506 1.00 0.00 C ATOM 0 H LEU A 32 15.052 -0.060 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 32 13.156 -1.699 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.701 -1.055 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.260 -2.715 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 32 11.512 -1.801 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.629 -2.863 -4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.717 -1.511 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.292 -3.188 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.033 -4.238 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.702 -4.564 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.398 -3.855 -1.469 1.00 0.00 H new ATOM 541 N LYS A 33 16.009 -3.184 -1.746 1.00 0.00 N ATOM 542 CA LYS A 33 16.888 -4.286 -1.302 1.00 0.00 C ATOM 543 C LYS A 33 17.341 -4.034 0.144 1.00 0.00 C ATOM 544 O LYS A 33 17.453 -4.950 0.935 1.00 0.00 O ATOM 545 CB LYS A 33 18.091 -4.316 -2.233 1.00 0.00 C ATOM 546 CG LYS A 33 18.845 -5.638 -2.085 1.00 0.00 C ATOM 547 CD LYS A 33 20.087 -5.620 -2.993 1.00 0.00 C ATOM 548 CE LYS A 33 21.285 -5.027 -2.240 1.00 0.00 C ATOM 549 NZ LYS A 33 22.406 -4.792 -3.193 1.00 0.00 N ATOM 0 H LYS A 33 16.330 -2.676 -2.570 1.00 0.00 H new ATOM 0 HA LYS A 33 16.362 -5.240 -1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.764 -4.190 -3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.756 -3.483 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.142 -5.786 -1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.196 -6.472 -2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.320 -6.632 -3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.884 -5.032 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.999 -4.091 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.603 -5.706 -1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.218 -4.390 -2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.684 -5.693 -3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.099 -4.128 -3.933 1.00 0.00 H new ATOM 563 N GLU A 34 17.628 -2.804 0.486 1.00 0.00 N ATOM 564 CA GLU A 34 18.104 -2.519 1.878 1.00 0.00 C ATOM 565 C GLU A 34 16.933 -2.551 2.860 1.00 0.00 C ATOM 566 O GLU A 34 17.090 -2.905 4.011 1.00 0.00 O ATOM 567 CB GLU A 34 18.779 -1.150 1.934 1.00 0.00 C ATOM 568 CG GLU A 34 19.434 -0.962 3.303 1.00 0.00 C ATOM 569 CD GLU A 34 20.231 0.344 3.310 1.00 0.00 C ATOM 570 OE1 GLU A 34 20.079 1.113 2.376 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.982 0.551 4.249 1.00 0.00 O ATOM 0 H GLU A 34 17.556 -1.992 -0.128 1.00 0.00 H new ATOM 0 HA GLU A 34 18.824 -3.288 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.528 -1.069 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.045 -0.363 1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.673 -0.940 4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.091 -1.803 3.522 1.00 0.00 H new ATOM 578 N LEU A 35 15.761 -2.200 2.420 1.00 0.00 N ATOM 579 CA LEU A 35 14.589 -2.230 3.338 1.00 0.00 C ATOM 580 C LEU A 35 14.181 -3.689 3.546 1.00 0.00 C ATOM 581 O LEU A 35 13.719 -4.075 4.600 1.00 0.00 O ATOM 582 CB LEU A 35 13.435 -1.434 2.709 1.00 0.00 C ATOM 583 CG LEU A 35 12.160 -1.535 3.568 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.372 -0.851 4.920 1.00 0.00 C ATOM 585 CD2 LEU A 35 11.013 -0.846 2.829 1.00 0.00 C ATOM 0 H LEU A 35 15.562 -1.894 1.468 1.00 0.00 H new ATOM 0 HA LEU A 35 14.838 -1.781 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.725 -0.388 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.233 -1.811 1.706 1.00 0.00 H new ATOM 0 HG LEU A 35 11.925 -2.585 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.462 -0.931 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.194 -1.335 5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.611 0.201 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.104 -0.911 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.264 0.202 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.852 -1.337 1.869 1.00 0.00 H new ATOM 597 N ILE A 36 14.354 -4.497 2.539 1.00 0.00 N ATOM 598 CA ILE A 36 13.987 -5.935 2.653 1.00 0.00 C ATOM 599 C ILE A 36 14.953 -6.641 3.608 1.00 0.00 C ATOM 600 O ILE A 36 14.556 -7.432 4.439 1.00 0.00 O ATOM 601 CB ILE A 36 14.087 -6.583 1.269 1.00 0.00 C ATOM 602 CG1 ILE A 36 13.147 -5.843 0.262 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.731 -8.072 1.390 1.00 0.00 C ATOM 604 CD1 ILE A 36 11.836 -6.604 0.024 1.00 0.00 C ATOM 0 H ILE A 36 14.737 -4.221 1.635 1.00 0.00 H new ATOM 0 HA ILE A 36 12.971 -6.023 3.037 1.00 0.00 H new ATOM 0 HB ILE A 36 15.104 -6.500 0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.922 -4.847 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.666 -5.712 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.799 -8.543 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.426 -8.558 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.715 -8.173 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.217 -6.050 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.057 -7.591 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.302 -6.712 0.968 1.00 0.00 H new ATOM 616 N ASN A 37 16.224 -6.366 3.483 1.00 0.00 N ATOM 617 CA ASN A 37 17.235 -7.020 4.365 1.00 0.00 C ATOM 618 C ASN A 37 17.378 -6.274 5.699 1.00 0.00 C ATOM 619 O ASN A 37 17.822 -6.833 6.679 1.00 0.00 O ATOM 620 CB ASN A 37 18.586 -7.025 3.646 1.00 0.00 C ATOM 621 CG ASN A 37 19.655 -7.622 4.563 1.00 0.00 C ATOM 622 OD1 ASN A 37 19.923 -7.097 5.625 1.00 0.00 O ATOM 623 ND2 ASN A 37 20.284 -8.704 4.194 1.00 0.00 N ATOM 0 H ASN A 37 16.608 -5.711 2.802 1.00 0.00 H new ATOM 0 HA ASN A 37 16.905 -8.037 4.577 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.517 -7.605 2.726 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.862 -6.009 3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 37 21.000 -9.108 4.797 1.00 0.00 H new ATOM 0 HD22 ASN A 37 20.059 -9.145 3.302 1.00 0.00 H new ATOM 630 N ASN A 38 17.072 -5.002 5.740 1.00 0.00 N ATOM 631 CA ASN A 38 17.268 -4.246 7.021 1.00 0.00 C ATOM 632 C ASN A 38 16.042 -4.340 7.936 1.00 0.00 C ATOM 633 O ASN A 38 16.180 -4.572 9.121 1.00 0.00 O ATOM 634 CB ASN A 38 17.534 -2.775 6.696 1.00 0.00 C ATOM 635 CG ASN A 38 17.895 -2.026 7.981 1.00 0.00 C ATOM 636 OD1 ASN A 38 17.769 -0.729 8.023 1.00 0.00 O flip ATOM 637 ND2 ASN A 38 18.297 -2.628 8.957 1.00 0.00 N flip ATOM 0 H ASN A 38 16.702 -4.460 4.960 1.00 0.00 H new ATOM 0 HA ASN A 38 18.114 -4.689 7.546 1.00 0.00 H new ATOM 0 HB2 ASN A 38 18.346 -2.692 5.974 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.652 -2.328 6.237 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.396 -3.643 8.925 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.535 -2.119 9.808 1.00 0.00 H new ATOM 644 N GLU A 39 14.853 -4.135 7.425 1.00 0.00 N ATOM 645 CA GLU A 39 13.636 -4.184 8.305 1.00 0.00 C ATOM 646 C GLU A 39 12.870 -5.491 8.092 1.00 0.00 C ATOM 647 O GLU A 39 12.647 -6.244 9.018 1.00 0.00 O ATOM 648 CB GLU A 39 12.727 -2.996 7.967 1.00 0.00 C ATOM 649 CG GLU A 39 11.677 -2.803 9.071 1.00 0.00 C ATOM 650 CD GLU A 39 11.037 -1.418 8.939 1.00 0.00 C ATOM 651 OE1 GLU A 39 11.704 -0.520 8.452 1.00 0.00 O ATOM 652 OE2 GLU A 39 9.889 -1.280 9.327 1.00 0.00 O ATOM 0 H GLU A 39 14.669 -3.936 6.442 1.00 0.00 H new ATOM 0 HA GLU A 39 13.949 -4.132 9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.324 -2.090 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.233 -3.167 7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.912 -3.576 8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.143 -2.907 10.051 1.00 0.00 H new ATOM 659 N LEU A 40 12.460 -5.768 6.887 1.00 0.00 N ATOM 660 CA LEU A 40 11.703 -7.030 6.639 1.00 0.00 C ATOM 661 C LEU A 40 12.682 -8.210 6.635 1.00 0.00 C ATOM 662 O LEU A 40 12.497 -9.176 5.923 1.00 0.00 O ATOM 663 CB LEU A 40 10.969 -6.959 5.284 1.00 0.00 C ATOM 664 CG LEU A 40 10.428 -5.540 5.022 1.00 0.00 C ATOM 665 CD1 LEU A 40 9.872 -5.483 3.592 1.00 0.00 C ATOM 666 CD2 LEU A 40 9.316 -5.183 6.044 1.00 0.00 C ATOM 0 H LEU A 40 12.614 -5.181 6.067 1.00 0.00 H new ATOM 0 HA LEU A 40 10.963 -7.165 7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.649 -7.246 4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.146 -7.673 5.275 1.00 0.00 H new ATOM 0 HG LEU A 40 11.234 -4.816 5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.485 -4.484 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.667 -5.713 2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.068 -6.212 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.946 -4.177 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.496 -5.896 5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.723 -5.225 7.054 1.00 0.00 H new ATOM 678 N SER A 41 13.726 -8.141 7.419 1.00 0.00 N ATOM 679 CA SER A 41 14.719 -9.256 7.457 1.00 0.00 C ATOM 680 C SER A 41 14.277 -10.332 8.462 1.00 0.00 C ATOM 681 O SER A 41 14.769 -11.443 8.439 1.00 0.00 O ATOM 682 CB SER A 41 16.095 -8.682 7.862 1.00 0.00 C ATOM 683 OG SER A 41 15.971 -7.278 8.039 1.00 0.00 O ATOM 0 H SER A 41 13.935 -7.357 8.037 1.00 0.00 H new ATOM 0 HA SER A 41 14.787 -9.718 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 41 16.443 -9.149 8.783 1.00 0.00 H new ATOM 0 HB3 SER A 41 16.836 -8.902 7.094 1.00 0.00 H new ATOM 0 HG SER A 41 16.856 -6.861 7.980 1.00 0.00 H new ATOM 689 N HIS A 42 13.362 -10.018 9.347 1.00 0.00 N ATOM 690 CA HIS A 42 12.906 -11.030 10.354 1.00 0.00 C ATOM 691 C HIS A 42 11.576 -11.643 9.908 1.00 0.00 C ATOM 692 O HIS A 42 11.199 -12.708 10.352 1.00 0.00 O ATOM 693 CB HIS A 42 12.710 -10.343 11.706 1.00 0.00 C ATOM 694 CG HIS A 42 13.989 -9.671 12.123 1.00 0.00 C ATOM 695 ND1 HIS A 42 15.120 -10.390 12.486 1.00 0.00 N ATOM 696 CD2 HIS A 42 14.332 -8.346 12.244 1.00 0.00 C ATOM 697 CE1 HIS A 42 16.081 -9.503 12.805 1.00 0.00 C ATOM 698 NE2 HIS A 42 15.651 -8.247 12.674 1.00 0.00 N ATOM 0 H HIS A 42 12.911 -9.106 9.416 1.00 0.00 H new ATOM 0 HA HIS A 42 13.657 -11.815 10.440 1.00 0.00 H new ATOM 0 HB2 HIS A 42 11.907 -9.609 11.639 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.411 -11.075 12.457 1.00 0.00 H new ATOM 0 HD2 HIS A 42 13.679 -7.511 12.037 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.076 -9.774 13.127 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.179 -7.393 12.852 1.00 0.00 H new ATOM 707 N PHE A 43 10.860 -10.971 9.041 1.00 0.00 N ATOM 708 CA PHE A 43 9.541 -11.496 8.564 1.00 0.00 C ATOM 709 C PHE A 43 9.677 -11.978 7.120 1.00 0.00 C ATOM 710 O PHE A 43 9.245 -13.059 6.775 1.00 0.00 O ATOM 711 CB PHE A 43 8.498 -10.363 8.654 1.00 0.00 C ATOM 712 CG PHE A 43 7.118 -10.931 8.909 1.00 0.00 C ATOM 713 CD1 PHE A 43 6.775 -11.384 10.188 1.00 0.00 C ATOM 714 CD2 PHE A 43 6.182 -10.998 7.869 1.00 0.00 C ATOM 715 CE1 PHE A 43 5.499 -11.905 10.429 1.00 0.00 C ATOM 716 CE2 PHE A 43 4.905 -11.519 8.110 1.00 0.00 C ATOM 717 CZ PHE A 43 4.564 -11.973 9.390 1.00 0.00 C ATOM 0 H PHE A 43 11.134 -10.074 8.640 1.00 0.00 H new ATOM 0 HA PHE A 43 9.221 -12.334 9.183 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.768 -9.675 9.455 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.496 -9.789 7.728 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.496 -11.331 10.990 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.445 -10.648 6.882 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.236 -12.255 11.416 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.183 -11.571 7.309 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.579 -12.376 9.575 1.00 0.00 H new ATOM 727 N LEU A 44 10.279 -11.184 6.278 1.00 0.00 N ATOM 728 CA LEU A 44 10.454 -11.589 4.853 1.00 0.00 C ATOM 729 C LEU A 44 11.876 -12.119 4.663 1.00 0.00 C ATOM 730 O LEU A 44 12.825 -11.586 5.202 1.00 0.00 O ATOM 731 CB LEU A 44 10.225 -10.366 3.959 1.00 0.00 C ATOM 732 CG LEU A 44 10.484 -10.707 2.483 1.00 0.00 C ATOM 733 CD1 LEU A 44 9.625 -11.906 2.051 1.00 0.00 C ATOM 734 CD2 LEU A 44 10.133 -9.484 1.618 1.00 0.00 C ATOM 0 H LEU A 44 10.659 -10.268 6.516 1.00 0.00 H new ATOM 0 HA LEU A 44 9.740 -12.368 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.202 -10.009 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.884 -9.555 4.270 1.00 0.00 H new ATOM 0 HG LEU A 44 11.535 -10.967 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.820 -12.135 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.875 -12.772 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.570 -11.663 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.314 -9.717 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.082 -9.229 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.754 -8.639 1.914 1.00 0.00 H new ATOM 746 N GLU A 45 12.028 -13.170 3.912 1.00 0.00 N ATOM 747 CA GLU A 45 13.388 -13.748 3.700 1.00 0.00 C ATOM 748 C GLU A 45 14.374 -12.628 3.352 1.00 0.00 C ATOM 749 O GLU A 45 14.132 -11.817 2.480 1.00 0.00 O ATOM 750 CB GLU A 45 13.340 -14.755 2.547 1.00 0.00 C ATOM 751 CG GLU A 45 12.321 -15.851 2.865 1.00 0.00 C ATOM 752 CD GLU A 45 12.833 -16.708 4.022 1.00 0.00 C ATOM 753 OE1 GLU A 45 13.750 -17.482 3.800 1.00 0.00 O ATOM 754 OE2 GLU A 45 12.301 -16.576 5.112 1.00 0.00 O ATOM 0 H GLU A 45 11.270 -13.657 3.433 1.00 0.00 H new ATOM 0 HA GLU A 45 13.713 -14.249 4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.068 -14.249 1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.326 -15.194 2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.362 -15.405 3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.154 -16.472 1.985 1.00 0.00 H new ATOM 761 N GLU A 46 15.478 -12.575 4.046 1.00 0.00 N ATOM 762 CA GLU A 46 16.485 -11.507 3.785 1.00 0.00 C ATOM 763 C GLU A 46 16.956 -11.569 2.329 1.00 0.00 C ATOM 764 O GLU A 46 17.787 -12.380 1.971 1.00 0.00 O ATOM 765 CB GLU A 46 17.691 -11.698 4.719 1.00 0.00 C ATOM 766 CG GLU A 46 17.217 -12.093 6.130 1.00 0.00 C ATOM 767 CD GLU A 46 17.017 -13.611 6.213 1.00 0.00 C ATOM 768 OE1 GLU A 46 17.990 -14.304 6.471 1.00 0.00 O ATOM 769 OE2 GLU A 46 15.898 -14.054 6.018 1.00 0.00 O ATOM 0 H GLU A 46 15.727 -13.230 4.787 1.00 0.00 H new ATOM 0 HA GLU A 46 16.026 -10.536 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.350 -12.469 4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.271 -10.777 4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.950 -11.774 6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.283 -11.582 6.365 1.00 0.00 H new ATOM 776 N ILE A 47 16.444 -10.711 1.489 1.00 0.00 N ATOM 777 CA ILE A 47 16.884 -10.721 0.065 1.00 0.00 C ATOM 778 C ILE A 47 18.363 -10.321 0.010 1.00 0.00 C ATOM 779 O ILE A 47 18.747 -9.269 0.483 1.00 0.00 O ATOM 780 CB ILE A 47 16.018 -9.729 -0.751 1.00 0.00 C ATOM 781 CG1 ILE A 47 14.694 -10.421 -1.143 1.00 0.00 C ATOM 782 CG2 ILE A 47 16.761 -9.274 -2.022 1.00 0.00 C ATOM 783 CD1 ILE A 47 13.786 -9.477 -1.957 1.00 0.00 C ATOM 0 H ILE A 47 15.744 -10.008 1.725 1.00 0.00 H new ATOM 0 HA ILE A 47 16.763 -11.715 -0.365 1.00 0.00 H new ATOM 0 HB ILE A 47 15.814 -8.850 -0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 47 14.908 -11.316 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.171 -10.746 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 47 16.135 -8.578 -2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 47 17.692 -8.781 -1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.983 -10.141 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 47 12.863 -9.995 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.552 -8.594 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.301 -9.174 -2.869 1.00 0.00 H new ATOM 795 N LYS A 48 19.188 -11.147 -0.584 1.00 0.00 N ATOM 796 CA LYS A 48 20.646 -10.828 -0.702 1.00 0.00 C ATOM 797 C LYS A 48 20.968 -10.601 -2.179 1.00 0.00 C ATOM 798 O LYS A 48 21.938 -9.957 -2.526 1.00 0.00 O ATOM 799 CB LYS A 48 21.476 -12.000 -0.169 1.00 0.00 C ATOM 800 CG LYS A 48 21.229 -12.168 1.336 1.00 0.00 C ATOM 801 CD LYS A 48 22.370 -12.975 1.964 1.00 0.00 C ATOM 802 CE LYS A 48 22.503 -14.322 1.251 1.00 0.00 C ATOM 803 NZ LYS A 48 23.337 -15.240 2.078 1.00 0.00 N ATOM 0 H LYS A 48 18.911 -12.038 -0.997 1.00 0.00 H new ATOM 0 HA LYS A 48 20.884 -9.936 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.209 -12.916 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.535 -11.822 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.158 -11.191 1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.278 -12.675 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.305 -12.420 1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.176 -13.132 3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.517 -14.758 1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.958 -14.183 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.428 -16.156 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.281 -14.824 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.885 -15.381 3.004 1.00 0.00 H new ATOM 817 N GLU A 49 20.146 -11.125 -3.050 1.00 0.00 N ATOM 818 CA GLU A 49 20.372 -10.946 -4.515 1.00 0.00 C ATOM 819 C GLU A 49 19.507 -9.786 -5.011 1.00 0.00 C ATOM 820 O GLU A 49 18.452 -9.515 -4.474 1.00 0.00 O ATOM 821 CB GLU A 49 19.975 -12.231 -5.250 1.00 0.00 C ATOM 822 CG GLU A 49 20.548 -12.213 -6.672 1.00 0.00 C ATOM 823 CD GLU A 49 22.039 -12.558 -6.629 1.00 0.00 C ATOM 824 OE1 GLU A 49 22.358 -13.732 -6.721 1.00 0.00 O ATOM 825 OE2 GLU A 49 22.836 -11.642 -6.505 1.00 0.00 O ATOM 0 H GLU A 49 19.321 -11.674 -2.807 1.00 0.00 H new ATOM 0 HA GLU A 49 21.423 -10.731 -4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.348 -13.101 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.889 -12.320 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.016 -12.930 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.405 -11.230 -7.120 1.00 0.00 H new ATOM 832 N GLN A 50 19.942 -9.096 -6.030 1.00 0.00 N ATOM 833 CA GLN A 50 19.141 -7.951 -6.559 1.00 0.00 C ATOM 834 C GLN A 50 18.237 -8.442 -7.693 1.00 0.00 C ATOM 835 O GLN A 50 17.191 -7.880 -7.954 1.00 0.00 O ATOM 836 CB GLN A 50 20.091 -6.878 -7.098 1.00 0.00 C ATOM 837 CG GLN A 50 19.278 -5.690 -7.615 1.00 0.00 C ATOM 838 CD GLN A 50 20.220 -4.536 -7.963 1.00 0.00 C ATOM 839 OE1 GLN A 50 21.119 -4.691 -8.768 1.00 0.00 O ATOM 840 NE2 GLN A 50 20.053 -3.376 -7.390 1.00 0.00 N ATOM 0 H GLN A 50 20.818 -9.275 -6.521 1.00 0.00 H new ATOM 0 HA GLN A 50 18.529 -7.533 -5.760 1.00 0.00 H new ATOM 0 HB2 GLN A 50 20.772 -6.552 -6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.704 -7.289 -7.900 1.00 0.00 H new ATOM 0 HG2 GLN A 50 18.706 -5.984 -8.495 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.560 -5.371 -6.859 1.00 0.00 H new ATOM 0 HE21 GLN A 50 19.300 -3.244 -6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.676 -2.601 -7.617 1.00 0.00 H new ATOM 849 N GLU A 51 18.641 -9.474 -8.378 1.00 0.00 N ATOM 850 CA GLU A 51 17.825 -9.996 -9.507 1.00 0.00 C ATOM 851 C GLU A 51 16.387 -10.228 -9.058 1.00 0.00 C ATOM 852 O GLU A 51 15.465 -10.113 -9.840 1.00 0.00 O ATOM 853 CB GLU A 51 18.427 -11.309 -10.009 1.00 0.00 C ATOM 854 CG GLU A 51 17.599 -11.836 -11.183 1.00 0.00 C ATOM 855 CD GLU A 51 18.341 -12.996 -11.850 1.00 0.00 C ATOM 856 OE1 GLU A 51 19.240 -13.534 -11.226 1.00 0.00 O ATOM 857 OE2 GLU A 51 17.996 -13.326 -12.972 1.00 0.00 O ATOM 0 H GLU A 51 19.508 -9.982 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 51 17.826 -9.262 -10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.460 -11.152 -10.320 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.445 -12.044 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.622 -12.169 -10.833 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.424 -11.039 -11.905 1.00 0.00 H new ATOM 864 N VAL A 52 16.169 -10.539 -7.813 1.00 0.00 N ATOM 865 CA VAL A 52 14.770 -10.749 -7.360 1.00 0.00 C ATOM 866 C VAL A 52 14.107 -9.390 -7.239 1.00 0.00 C ATOM 867 O VAL A 52 12.953 -9.216 -7.577 1.00 0.00 O ATOM 868 CB VAL A 52 14.746 -11.482 -6.016 1.00 0.00 C ATOM 869 CG1 VAL A 52 15.637 -10.750 -5.011 1.00 0.00 C ATOM 870 CG2 VAL A 52 13.310 -11.530 -5.487 1.00 0.00 C ATOM 0 H VAL A 52 16.888 -10.655 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 52 14.231 -11.365 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 52 15.118 -12.497 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.616 -11.276 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 52 16.660 -10.719 -5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.270 -9.733 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.292 -12.052 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.937 -10.514 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.677 -12.058 -6.200 1.00 0.00 H new ATOM 880 N VAL A 53 14.837 -8.412 -6.801 1.00 0.00 N ATOM 881 CA VAL A 53 14.252 -7.059 -6.712 1.00 0.00 C ATOM 882 C VAL A 53 14.013 -6.611 -8.153 1.00 0.00 C ATOM 883 O VAL A 53 13.162 -5.795 -8.437 1.00 0.00 O ATOM 884 CB VAL A 53 15.209 -6.112 -5.926 1.00 0.00 C ATOM 885 CG1 VAL A 53 15.830 -5.039 -6.833 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.444 -5.413 -4.796 1.00 0.00 C ATOM 0 H VAL A 53 15.809 -8.492 -6.502 1.00 0.00 H new ATOM 0 HA VAL A 53 13.311 -7.042 -6.162 1.00 0.00 H new ATOM 0 HB VAL A 53 16.010 -6.731 -5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.489 -4.402 -6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.403 -5.520 -7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.039 -4.433 -7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.120 -4.754 -4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.627 -4.827 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.040 -6.161 -4.114 1.00 0.00 H new ATOM 896 N ASP A 54 14.747 -7.179 -9.070 1.00 0.00 N ATOM 897 CA ASP A 54 14.541 -6.827 -10.497 1.00 0.00 C ATOM 898 C ASP A 54 13.266 -7.526 -10.949 1.00 0.00 C ATOM 899 O ASP A 54 12.504 -7.017 -11.748 1.00 0.00 O ATOM 900 CB ASP A 54 15.727 -7.308 -11.337 1.00 0.00 C ATOM 901 CG ASP A 54 15.637 -6.700 -12.738 1.00 0.00 C ATOM 902 OD1 ASP A 54 14.676 -5.992 -12.994 1.00 0.00 O ATOM 903 OD2 ASP A 54 16.529 -6.953 -13.531 1.00 0.00 O ATOM 0 H ASP A 54 15.477 -7.869 -8.891 1.00 0.00 H new ATOM 0 HA ASP A 54 14.460 -5.747 -10.621 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.664 -7.018 -10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.725 -8.396 -11.400 1.00 0.00 H new ATOM 908 N LYS A 55 13.022 -8.694 -10.414 1.00 0.00 N ATOM 909 CA LYS A 55 11.787 -9.441 -10.775 1.00 0.00 C ATOM 910 C LYS A 55 10.604 -8.835 -10.013 1.00 0.00 C ATOM 911 O LYS A 55 9.580 -8.523 -10.587 1.00 0.00 O ATOM 912 CB LYS A 55 11.957 -10.920 -10.398 1.00 0.00 C ATOM 913 CG LYS A 55 10.603 -11.672 -10.500 1.00 0.00 C ATOM 914 CD LYS A 55 9.983 -11.852 -9.103 1.00 0.00 C ATOM 915 CE LYS A 55 8.482 -12.112 -9.230 1.00 0.00 C ATOM 916 NZ LYS A 55 7.955 -12.624 -7.934 1.00 0.00 N ATOM 0 H LYS A 55 13.629 -9.162 -9.741 1.00 0.00 H new ATOM 0 HA LYS A 55 11.604 -9.370 -11.847 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.688 -11.387 -11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.347 -10.999 -9.383 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.918 -11.116 -11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.755 -12.646 -10.966 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.463 -12.684 -8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.157 -10.960 -8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.965 -11.193 -9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.293 -12.836 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.934 -12.801 -8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.440 -13.510 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.122 -11.919 -7.188 1.00 0.00 H new ATOM 930 N VAL A 56 10.741 -8.650 -8.724 1.00 0.00 N ATOM 931 CA VAL A 56 9.624 -8.045 -7.940 1.00 0.00 C ATOM 932 C VAL A 56 9.225 -6.735 -8.623 1.00 0.00 C ATOM 933 O VAL A 56 8.060 -6.413 -8.752 1.00 0.00 O ATOM 934 CB VAL A 56 10.073 -7.814 -6.470 1.00 0.00 C ATOM 935 CG1 VAL A 56 10.632 -6.398 -6.263 1.00 0.00 C ATOM 936 CG2 VAL A 56 8.883 -8.008 -5.522 1.00 0.00 C ATOM 0 H VAL A 56 11.573 -8.890 -8.184 1.00 0.00 H new ATOM 0 HA VAL A 56 8.761 -8.711 -7.911 1.00 0.00 H new ATOM 0 HB VAL A 56 10.858 -8.538 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.935 -6.275 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.495 -6.249 -6.913 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.863 -5.664 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.206 -7.844 -4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.098 -7.295 -5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.498 -9.023 -5.624 1.00 0.00 H new ATOM 946 N MET A 57 10.193 -5.989 -9.078 1.00 0.00 N ATOM 947 CA MET A 57 9.887 -4.710 -9.770 1.00 0.00 C ATOM 948 C MET A 57 9.116 -5.014 -11.055 1.00 0.00 C ATOM 949 O MET A 57 8.333 -4.216 -11.525 1.00 0.00 O ATOM 950 CB MET A 57 11.195 -3.993 -10.112 1.00 0.00 C ATOM 951 CG MET A 57 11.792 -3.376 -8.843 1.00 0.00 C ATOM 952 SD MET A 57 10.945 -1.816 -8.476 1.00 0.00 S ATOM 953 CE MET A 57 12.413 -0.778 -8.270 1.00 0.00 C ATOM 0 H MET A 57 11.185 -6.212 -8.999 1.00 0.00 H new ATOM 0 HA MET A 57 9.286 -4.071 -9.123 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.902 -4.696 -10.554 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.012 -3.216 -10.854 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.686 -4.066 -8.006 1.00 0.00 H new ATOM 0 HG3 MET A 57 12.859 -3.200 -8.978 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.123 0.272 -8.301 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.882 -0.997 -7.311 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.119 -0.983 -9.074 1.00 0.00 H new ATOM 963 N GLU A 58 9.325 -6.174 -11.620 1.00 0.00 N ATOM 964 CA GLU A 58 8.593 -6.532 -12.865 1.00 0.00 C ATOM 965 C GLU A 58 7.110 -6.652 -12.538 1.00 0.00 C ATOM 966 O GLU A 58 6.257 -6.279 -13.318 1.00 0.00 O ATOM 967 CB GLU A 58 9.108 -7.870 -13.402 1.00 0.00 C ATOM 968 CG GLU A 58 8.609 -8.069 -14.834 1.00 0.00 C ATOM 969 CD GLU A 58 8.819 -9.527 -15.250 1.00 0.00 C ATOM 970 OE1 GLU A 58 9.516 -10.230 -14.538 1.00 0.00 O ATOM 971 OE2 GLU A 58 8.280 -9.914 -16.274 1.00 0.00 O ATOM 0 H GLU A 58 9.969 -6.885 -11.273 1.00 0.00 H new ATOM 0 HA GLU A 58 8.750 -5.763 -13.621 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.198 -7.888 -13.379 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.762 -8.686 -12.768 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.553 -7.809 -14.902 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.145 -7.405 -15.513 1.00 0.00 H new ATOM 978 N THR A 59 6.797 -7.167 -11.383 1.00 0.00 N ATOM 979 CA THR A 59 5.371 -7.307 -10.995 1.00 0.00 C ATOM 980 C THR A 59 4.877 -5.990 -10.406 1.00 0.00 C ATOM 981 O THR A 59 3.706 -5.674 -10.474 1.00 0.00 O ATOM 982 CB THR A 59 5.224 -8.411 -9.948 1.00 0.00 C ATOM 983 OG1 THR A 59 5.755 -9.625 -10.462 1.00 0.00 O ATOM 984 CG2 THR A 59 3.742 -8.595 -9.612 1.00 0.00 C ATOM 0 H THR A 59 7.470 -7.497 -10.691 1.00 0.00 H new ATOM 0 HA THR A 59 4.783 -7.563 -11.876 1.00 0.00 H new ATOM 0 HB THR A 59 5.768 -8.136 -9.045 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.663 -10.333 -9.790 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.633 -9.382 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.340 -7.662 -9.217 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.196 -8.873 -10.514 1.00 0.00 H new ATOM 992 N LEU A 60 5.756 -5.221 -9.808 1.00 0.00 N ATOM 993 CA LEU A 60 5.315 -3.926 -9.195 1.00 0.00 C ATOM 994 C LEU A 60 5.525 -2.761 -10.167 1.00 0.00 C ATOM 995 O LEU A 60 4.634 -1.955 -10.351 1.00 0.00 O ATOM 996 CB LEU A 60 6.106 -3.665 -7.902 1.00 0.00 C ATOM 997 CG LEU A 60 5.408 -4.328 -6.703 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.044 -3.649 -6.408 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.195 -5.821 -6.993 1.00 0.00 C ATOM 0 H LEU A 60 6.750 -5.430 -9.718 1.00 0.00 H new ATOM 0 HA LEU A 60 4.252 -4.001 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.119 -4.055 -8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.193 -2.592 -7.732 1.00 0.00 H new ATOM 0 HG LEU A 60 6.044 -4.211 -5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.571 -4.137 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.204 -2.595 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.397 -3.737 -7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.700 -6.290 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.574 -5.934 -7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.159 -6.300 -7.161 1.00 0.00 H new ATOM 1011 N ASP A 61 6.662 -2.634 -10.801 1.00 0.00 N ATOM 1012 CA ASP A 61 6.846 -1.493 -11.746 1.00 0.00 C ATOM 1013 C ASP A 61 5.764 -1.536 -12.813 1.00 0.00 C ATOM 1014 O ASP A 61 5.928 -2.117 -13.867 1.00 0.00 O ATOM 1015 CB ASP A 61 8.222 -1.597 -12.401 1.00 0.00 C ATOM 1016 CG ASP A 61 8.547 -0.289 -13.122 1.00 0.00 C ATOM 1017 OD1 ASP A 61 7.697 0.586 -13.131 1.00 0.00 O ATOM 1018 OD2 ASP A 61 9.640 -0.183 -13.653 1.00 0.00 O ATOM 0 H ASP A 61 7.461 -3.261 -10.708 1.00 0.00 H new ATOM 0 HA ASP A 61 6.774 -0.551 -11.202 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.980 -1.806 -11.646 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.238 -2.427 -13.107 1.00 0.00 H new ATOM 1023 N GLU A 62 4.658 -0.912 -12.539 1.00 0.00 N ATOM 1024 CA GLU A 62 3.543 -0.891 -13.526 1.00 0.00 C ATOM 1025 C GLU A 62 3.702 0.339 -14.405 1.00 0.00 C ATOM 1026 O GLU A 62 3.343 0.339 -15.566 1.00 0.00 O ATOM 1027 CB GLU A 62 2.198 -0.849 -12.794 1.00 0.00 C ATOM 1028 CG GLU A 62 1.055 -1.106 -13.783 1.00 0.00 C ATOM 1029 CD GLU A 62 1.140 -2.539 -14.318 1.00 0.00 C ATOM 1030 OE1 GLU A 62 1.022 -3.456 -13.523 1.00 0.00 O ATOM 1031 OE2 GLU A 62 1.322 -2.692 -15.515 1.00 0.00 O ATOM 0 H GLU A 62 4.475 -0.412 -11.669 1.00 0.00 H new ATOM 0 HA GLU A 62 3.570 -1.790 -14.141 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.181 -1.599 -12.003 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.065 0.121 -12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.095 -0.949 -13.291 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.111 -0.397 -14.609 1.00 0.00 H new ATOM 1038 N ASP A 63 4.270 1.382 -13.869 1.00 0.00 N ATOM 1039 CA ASP A 63 4.486 2.602 -14.685 1.00 0.00 C ATOM 1040 C ASP A 63 5.769 2.398 -15.484 1.00 0.00 C ATOM 1041 O ASP A 63 6.137 3.207 -16.312 1.00 0.00 O ATOM 1042 CB ASP A 63 4.634 3.818 -13.769 1.00 0.00 C ATOM 1043 CG ASP A 63 5.782 3.583 -12.786 1.00 0.00 C ATOM 1044 OD1 ASP A 63 6.333 2.495 -12.799 1.00 0.00 O ATOM 1045 OD2 ASP A 63 6.090 4.495 -12.037 1.00 0.00 O ATOM 0 H ASP A 63 4.593 1.440 -12.903 1.00 0.00 H new ATOM 0 HA ASP A 63 3.641 2.774 -15.352 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.827 4.712 -14.362 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.706 3.991 -13.225 1.00 0.00 H new ATOM 1050 N GLY A 64 6.453 1.308 -15.239 1.00 0.00 N ATOM 1051 CA GLY A 64 7.711 1.040 -15.983 1.00 0.00 C ATOM 1052 C GLY A 64 8.703 2.159 -15.695 1.00 0.00 C ATOM 1053 O GLY A 64 9.336 2.685 -16.588 1.00 0.00 O ATOM 0 H GLY A 64 6.191 0.597 -14.557 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.129 0.079 -15.683 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.511 0.980 -17.053 1.00 0.00 H new ATOM 1057 N ASP A 65 8.840 2.533 -14.446 1.00 0.00 N ATOM 1058 CA ASP A 65 9.791 3.632 -14.090 1.00 0.00 C ATOM 1059 C ASP A 65 11.050 3.029 -13.478 1.00 0.00 C ATOM 1060 O ASP A 65 12.010 3.722 -13.204 1.00 0.00 O ATOM 1061 CB ASP A 65 9.129 4.563 -13.072 1.00 0.00 C ATOM 1062 CG ASP A 65 8.711 3.760 -11.839 1.00 0.00 C ATOM 1063 OD1 ASP A 65 8.691 2.543 -11.929 1.00 0.00 O ATOM 1064 OD2 ASP A 65 8.418 4.375 -10.828 1.00 0.00 O ATOM 0 H ASP A 65 8.335 2.125 -13.659 1.00 0.00 H new ATOM 0 HA ASP A 65 10.053 4.196 -14.986 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.820 5.355 -12.785 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.258 5.045 -13.517 1.00 0.00 H new ATOM 1069 N GLY A 66 11.058 1.745 -13.250 1.00 0.00 N ATOM 1070 CA GLY A 66 12.267 1.119 -12.644 1.00 0.00 C ATOM 1071 C GLY A 66 12.371 1.577 -11.195 1.00 0.00 C ATOM 1072 O GLY A 66 13.209 1.124 -10.441 1.00 0.00 O ATOM 0 H GLY A 66 10.289 1.107 -13.454 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.197 0.032 -12.694 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.161 1.407 -13.198 1.00 0.00 H new ATOM 1076 N GLU A 67 11.498 2.468 -10.805 1.00 0.00 N ATOM 1077 CA GLU A 67 11.480 2.979 -9.406 1.00 0.00 C ATOM 1078 C GLU A 67 10.095 2.691 -8.846 1.00 0.00 C ATOM 1079 O GLU A 67 9.209 2.289 -9.574 1.00 0.00 O ATOM 1080 CB GLU A 67 11.734 4.493 -9.400 1.00 0.00 C ATOM 1081 CG GLU A 67 13.232 4.764 -9.565 1.00 0.00 C ATOM 1082 CD GLU A 67 13.501 6.260 -9.393 1.00 0.00 C ATOM 1083 OE1 GLU A 67 12.763 6.893 -8.657 1.00 0.00 O ATOM 1084 OE2 GLU A 67 14.442 6.746 -9.998 1.00 0.00 O ATOM 0 H GLU A 67 10.783 2.870 -11.411 1.00 0.00 H new ATOM 0 HA GLU A 67 12.254 2.500 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.177 4.968 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.376 4.928 -8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.799 4.195 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.566 4.434 -10.549 1.00 0.00 H new ATOM 1091 N CYS A 68 9.889 2.879 -7.568 1.00 0.00 N ATOM 1092 CA CYS A 68 8.544 2.600 -6.973 1.00 0.00 C ATOM 1093 C CYS A 68 8.052 3.817 -6.191 1.00 0.00 C ATOM 1094 O CYS A 68 8.389 4.006 -5.037 1.00 0.00 O ATOM 1095 CB CYS A 68 8.640 1.389 -6.041 1.00 0.00 C ATOM 1096 SG CYS A 68 8.739 -0.123 -7.031 1.00 0.00 S ATOM 0 H CYS A 68 10.593 3.213 -6.910 1.00 0.00 H new ATOM 0 HA CYS A 68 7.836 2.387 -7.774 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.518 1.477 -5.402 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.771 1.351 -5.385 1.00 0.00 H new ATOM 0 HG CYS A 68 7.988 -0.001 -8.085 1.00 0.00 H new ATOM 1102 N ASP A 69 7.273 4.653 -6.829 1.00 0.00 N ATOM 1103 CA ASP A 69 6.747 5.869 -6.146 1.00 0.00 C ATOM 1104 C ASP A 69 6.125 5.453 -4.809 1.00 0.00 C ATOM 1105 O ASP A 69 6.209 4.314 -4.405 1.00 0.00 O ATOM 1106 CB ASP A 69 5.679 6.533 -7.024 1.00 0.00 C ATOM 1107 CG ASP A 69 6.155 6.572 -8.479 1.00 0.00 C ATOM 1108 OD1 ASP A 69 6.603 5.548 -8.966 1.00 0.00 O ATOM 1109 OD2 ASP A 69 6.057 7.627 -9.083 1.00 0.00 O ATOM 0 H ASP A 69 6.978 4.543 -7.799 1.00 0.00 H new ATOM 0 HA ASP A 69 7.558 6.577 -5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.742 5.981 -6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.481 7.544 -6.669 1.00 0.00 H new ATOM 1114 N PHE A 70 5.488 6.352 -4.117 1.00 0.00 N ATOM 1115 CA PHE A 70 4.874 5.975 -2.814 1.00 0.00 C ATOM 1116 C PHE A 70 3.671 5.055 -3.040 1.00 0.00 C ATOM 1117 O PHE A 70 3.346 4.234 -2.204 1.00 0.00 O ATOM 1118 CB PHE A 70 4.421 7.249 -2.088 1.00 0.00 C ATOM 1119 CG PHE A 70 3.902 8.252 -3.097 1.00 0.00 C ATOM 1120 CD1 PHE A 70 2.637 8.082 -3.668 1.00 0.00 C ATOM 1121 CD2 PHE A 70 4.690 9.351 -3.460 1.00 0.00 C ATOM 1122 CE1 PHE A 70 2.158 9.005 -4.605 1.00 0.00 C ATOM 1123 CE2 PHE A 70 4.212 10.277 -4.395 1.00 0.00 C ATOM 1124 CZ PHE A 70 2.946 10.104 -4.969 1.00 0.00 C ATOM 0 H PHE A 70 5.365 7.326 -4.394 1.00 0.00 H new ATOM 0 HA PHE A 70 5.609 5.444 -2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.642 7.010 -1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.254 7.677 -1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.028 7.236 -3.385 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.667 9.484 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.182 8.870 -5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.820 11.125 -4.674 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.578 10.817 -5.692 1.00 0.00 H new ATOM 1134 N GLN A 71 2.989 5.197 -4.141 1.00 0.00 N ATOM 1135 CA GLN A 71 1.794 4.343 -4.381 1.00 0.00 C ATOM 1136 C GLN A 71 2.217 2.938 -4.819 1.00 0.00 C ATOM 1137 O GLN A 71 1.527 1.968 -4.567 1.00 0.00 O ATOM 1138 CB GLN A 71 0.894 4.989 -5.453 1.00 0.00 C ATOM 1139 CG GLN A 71 1.751 5.651 -6.544 1.00 0.00 C ATOM 1140 CD GLN A 71 0.938 5.785 -7.836 1.00 0.00 C ATOM 1141 OE1 GLN A 71 -0.091 6.431 -7.858 1.00 0.00 O ATOM 1142 NE2 GLN A 71 1.363 5.199 -8.923 1.00 0.00 N ATOM 0 H GLN A 71 3.206 5.864 -4.882 1.00 0.00 H new ATOM 0 HA GLN A 71 1.232 4.258 -3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.248 4.233 -5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.244 5.732 -4.991 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.085 6.634 -6.210 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.646 5.056 -6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.227 4.657 -8.906 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.831 5.284 -9.789 1.00 0.00 H new ATOM 1151 N GLU A 72 3.342 2.803 -5.462 1.00 0.00 N ATOM 1152 CA GLU A 72 3.783 1.450 -5.908 1.00 0.00 C ATOM 1153 C GLU A 72 4.658 0.804 -4.830 1.00 0.00 C ATOM 1154 O GLU A 72 4.529 -0.367 -4.537 1.00 0.00 O ATOM 1155 CB GLU A 72 4.554 1.609 -7.217 1.00 0.00 C ATOM 1156 CG GLU A 72 5.191 0.279 -7.629 1.00 0.00 C ATOM 1157 CD GLU A 72 5.797 0.423 -9.023 1.00 0.00 C ATOM 1158 OE1 GLU A 72 5.038 0.463 -9.977 1.00 0.00 O ATOM 1159 OE2 GLU A 72 7.012 0.491 -9.116 1.00 0.00 O ATOM 0 H GLU A 72 3.975 3.567 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 72 2.923 0.800 -6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.882 1.956 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.327 2.369 -7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.961 -0.006 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.442 -0.513 -7.625 1.00 0.00 H new ATOM 1166 N PHE A 73 5.536 1.550 -4.226 1.00 0.00 N ATOM 1167 CA PHE A 73 6.394 0.958 -3.158 1.00 0.00 C ATOM 1168 C PHE A 73 5.482 0.424 -2.045 1.00 0.00 C ATOM 1169 O PHE A 73 5.717 -0.627 -1.479 1.00 0.00 O ATOM 1170 CB PHE A 73 7.345 2.039 -2.607 1.00 0.00 C ATOM 1171 CG PHE A 73 7.795 1.689 -1.202 1.00 0.00 C ATOM 1172 CD1 PHE A 73 8.223 0.390 -0.905 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.769 2.663 -0.196 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.626 0.065 0.394 1.00 0.00 C ATOM 1175 CE2 PHE A 73 8.171 2.338 1.103 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.599 1.039 1.400 1.00 0.00 C ATOM 0 H PHE A 73 5.699 2.538 -4.421 1.00 0.00 H new ATOM 0 HA PHE A 73 6.995 0.141 -3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.213 2.134 -3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.842 3.006 -2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.242 -0.362 -1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.438 3.666 -0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.958 -0.937 0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.151 3.090 1.878 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.908 0.788 2.404 1.00 0.00 H new ATOM 1186 N MET A 74 4.437 1.137 -1.736 1.00 0.00 N ATOM 1187 CA MET A 74 3.514 0.662 -0.673 1.00 0.00 C ATOM 1188 C MET A 74 2.662 -0.461 -1.242 1.00 0.00 C ATOM 1189 O MET A 74 2.083 -1.249 -0.521 1.00 0.00 O ATOM 1190 CB MET A 74 2.628 1.811 -0.183 1.00 0.00 C ATOM 1191 CG MET A 74 1.703 1.320 0.951 1.00 0.00 C ATOM 1192 SD MET A 74 1.430 2.660 2.139 1.00 0.00 S ATOM 1193 CE MET A 74 -0.180 2.096 2.743 1.00 0.00 C ATOM 0 H MET A 74 4.184 2.024 -2.172 1.00 0.00 H new ATOM 0 HA MET A 74 4.087 0.296 0.179 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.249 2.633 0.174 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.031 2.198 -1.009 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.751 0.987 0.538 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.150 0.462 1.453 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.604 2.849 3.407 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.851 1.939 1.898 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.057 1.160 3.288 1.00 0.00 H new ATOM 1203 N ALA A 75 2.635 -0.576 -2.538 1.00 0.00 N ATOM 1204 CA ALA A 75 1.881 -1.699 -3.144 1.00 0.00 C ATOM 1205 C ALA A 75 2.678 -2.973 -2.870 1.00 0.00 C ATOM 1206 O ALA A 75 2.144 -4.063 -2.848 1.00 0.00 O ATOM 1207 CB ALA A 75 1.723 -1.484 -4.650 1.00 0.00 C ATOM 0 H ALA A 75 3.097 0.052 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 75 0.881 -1.768 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.167 -2.317 -5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.182 -0.555 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.707 -1.426 -5.115 1.00 0.00 H new ATOM 1213 N PHE A 76 3.965 -2.837 -2.658 1.00 0.00 N ATOM 1214 CA PHE A 76 4.803 -4.037 -2.379 1.00 0.00 C ATOM 1215 C PHE A 76 4.536 -4.524 -0.951 1.00 0.00 C ATOM 1216 O PHE A 76 4.406 -5.708 -0.715 1.00 0.00 O ATOM 1217 CB PHE A 76 6.294 -3.694 -2.552 1.00 0.00 C ATOM 1218 CG PHE A 76 7.146 -4.744 -1.868 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.394 -5.969 -2.500 1.00 0.00 C ATOM 1220 CD2 PHE A 76 7.670 -4.497 -0.594 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.168 -6.943 -1.858 1.00 0.00 C ATOM 1222 CE2 PHE A 76 8.441 -5.472 0.049 1.00 0.00 C ATOM 1223 CZ PHE A 76 8.690 -6.695 -0.583 1.00 0.00 C ATOM 0 H PHE A 76 4.466 -1.949 -2.667 1.00 0.00 H new ATOM 0 HA PHE A 76 4.545 -4.828 -3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.544 -3.644 -3.612 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.502 -2.711 -2.128 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.988 -6.162 -3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.479 -3.552 -0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.362 -7.886 -2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.844 -5.280 1.033 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.285 -7.448 -0.087 1.00 0.00 H new ATOM 1233 N VAL A 77 4.427 -3.637 0.001 1.00 0.00 N ATOM 1234 CA VAL A 77 4.143 -4.112 1.386 1.00 0.00 C ATOM 1235 C VAL A 77 2.834 -4.883 1.347 1.00 0.00 C ATOM 1236 O VAL A 77 2.672 -5.911 1.973 1.00 0.00 O ATOM 1237 CB VAL A 77 3.987 -2.929 2.337 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.633 -3.452 3.728 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.298 -2.159 2.419 1.00 0.00 C ATOM 0 H VAL A 77 4.520 -2.628 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 77 4.965 -4.735 1.738 1.00 0.00 H new ATOM 0 HB VAL A 77 3.200 -2.270 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.520 -2.613 4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.698 -4.010 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.428 -4.107 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.182 -1.315 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.084 -2.817 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.567 -1.792 1.428 1.00 0.00 H new ATOM 1249 N SER A 78 1.906 -4.382 0.592 1.00 0.00 N ATOM 1250 CA SER A 78 0.593 -5.049 0.459 1.00 0.00 C ATOM 1251 C SER A 78 0.805 -6.413 -0.187 1.00 0.00 C ATOM 1252 O SER A 78 0.178 -7.391 0.166 1.00 0.00 O ATOM 1253 CB SER A 78 -0.281 -4.201 -0.446 1.00 0.00 C ATOM 1254 OG SER A 78 0.081 -4.468 -1.788 1.00 0.00 O ATOM 0 H SER A 78 2.005 -3.522 0.052 1.00 0.00 H new ATOM 0 HA SER A 78 0.120 -5.169 1.434 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.334 -4.432 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.148 -3.143 -0.220 1.00 0.00 H new ATOM 0 HG SER A 78 1.041 -4.310 -1.906 1.00 0.00 H new ATOM 1260 N MET A 79 1.710 -6.480 -1.122 1.00 0.00 N ATOM 1261 CA MET A 79 2.002 -7.772 -1.795 1.00 0.00 C ATOM 1262 C MET A 79 2.669 -8.693 -0.781 1.00 0.00 C ATOM 1263 O MET A 79 2.573 -9.903 -0.856 1.00 0.00 O ATOM 1264 CB MET A 79 2.933 -7.536 -2.993 1.00 0.00 C ATOM 1265 CG MET A 79 3.092 -8.828 -3.819 1.00 0.00 C ATOM 1266 SD MET A 79 3.370 -8.393 -5.561 1.00 0.00 S ATOM 1267 CE MET A 79 4.998 -9.160 -5.770 1.00 0.00 C ATOM 0 H MET A 79 2.263 -5.688 -1.450 1.00 0.00 H new ATOM 0 HA MET A 79 1.082 -8.227 -2.162 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.530 -6.743 -3.623 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.909 -7.200 -2.642 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.929 -9.415 -3.440 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.200 -9.447 -3.724 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.347 -9.001 -6.790 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.704 -8.712 -5.071 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.924 -10.230 -5.575 1.00 0.00 H new ATOM 1277 N VAL A 80 3.310 -8.115 0.194 1.00 0.00 N ATOM 1278 CA VAL A 80 3.949 -8.923 1.255 1.00 0.00 C ATOM 1279 C VAL A 80 2.851 -9.231 2.240 1.00 0.00 C ATOM 1280 O VAL A 80 2.756 -10.315 2.782 1.00 0.00 O ATOM 1281 CB VAL A 80 5.049 -8.122 1.961 1.00 0.00 C ATOM 1282 CG1 VAL A 80 5.555 -8.910 3.172 1.00 0.00 C ATOM 1283 CG2 VAL A 80 6.214 -7.866 1.002 1.00 0.00 C ATOM 0 H VAL A 80 3.417 -7.106 0.298 1.00 0.00 H new ATOM 0 HA VAL A 80 4.409 -9.821 0.843 1.00 0.00 H new ATOM 0 HB VAL A 80 4.638 -7.166 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.337 -8.342 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.731 -9.083 3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.958 -9.867 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.989 -7.296 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.625 -8.818 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.859 -7.301 0.140 1.00 0.00 H new ATOM 1293 N THR A 81 1.994 -8.273 2.453 1.00 0.00 N ATOM 1294 CA THR A 81 0.869 -8.497 3.376 1.00 0.00 C ATOM 1295 C THR A 81 -0.009 -9.571 2.767 1.00 0.00 C ATOM 1296 O THR A 81 -0.519 -10.432 3.456 1.00 0.00 O ATOM 1297 CB THR A 81 0.062 -7.207 3.536 1.00 0.00 C ATOM 1298 OG1 THR A 81 0.945 -6.122 3.783 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.913 -7.354 4.703 1.00 0.00 C ATOM 0 H THR A 81 2.031 -7.348 2.024 1.00 0.00 H new ATOM 0 HA THR A 81 1.233 -8.801 4.357 1.00 0.00 H new ATOM 0 HB THR A 81 -0.499 -7.014 2.621 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.326 -5.811 2.935 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.487 -6.434 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.592 -8.184 4.507 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.356 -7.549 5.620 1.00 0.00 H new ATOM 1307 N THR A 82 -0.219 -9.524 1.474 1.00 0.00 N ATOM 1308 CA THR A 82 -1.093 -10.539 0.833 1.00 0.00 C ATOM 1309 C THR A 82 -0.537 -11.941 1.051 1.00 0.00 C ATOM 1310 O THR A 82 -1.265 -12.850 1.397 1.00 0.00 O ATOM 1311 CB THR A 82 -1.169 -10.232 -0.657 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.147 -10.118 -1.177 1.00 0.00 O ATOM 1313 CG2 THR A 82 -1.933 -8.909 -0.867 1.00 0.00 C ATOM 0 H THR A 82 0.177 -8.828 0.843 1.00 0.00 H new ATOM 0 HA THR A 82 -2.088 -10.501 1.277 1.00 0.00 H new ATOM 0 HB THR A 82 -1.694 -11.035 -1.175 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.792 -10.122 -0.439 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.989 -8.686 -1.933 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.941 -9.003 -0.462 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.410 -8.102 -0.355 1.00 0.00 H new ATOM 1321 N ALA A 83 0.743 -12.139 0.870 1.00 0.00 N ATOM 1322 CA ALA A 83 1.305 -13.495 1.094 1.00 0.00 C ATOM 1323 C ALA A 83 0.928 -13.939 2.502 1.00 0.00 C ATOM 1324 O ALA A 83 0.783 -15.111 2.783 1.00 0.00 O ATOM 1325 CB ALA A 83 2.828 -13.447 0.962 1.00 0.00 C ATOM 0 H ALA A 83 1.413 -11.427 0.580 1.00 0.00 H new ATOM 0 HA ALA A 83 0.909 -14.195 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.239 -14.443 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.096 -13.105 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.236 -12.759 1.703 1.00 0.00 H new ATOM 1331 N CYS A 84 0.768 -12.996 3.389 1.00 0.00 N ATOM 1332 CA CYS A 84 0.398 -13.346 4.790 1.00 0.00 C ATOM 1333 C CYS A 84 -1.112 -13.605 4.885 1.00 0.00 C ATOM 1334 O CYS A 84 -1.602 -14.079 5.890 1.00 0.00 O ATOM 1335 CB CYS A 84 0.771 -12.184 5.715 1.00 0.00 C ATOM 1336 SG CYS A 84 2.419 -11.575 5.281 1.00 0.00 S ATOM 0 H CYS A 84 0.877 -11.999 3.205 1.00 0.00 H new ATOM 0 HA CYS A 84 0.935 -14.246 5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.039 -11.382 5.623 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.755 -12.512 6.754 1.00 0.00 H new ATOM 0 HG CYS A 84 2.414 -11.146 4.054 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.853 -13.284 3.851 1.00 0.00 N ATOM 1343 CA HIS A 85 -3.342 -13.493 3.881 1.00 0.00 C ATOM 1344 C HIS A 85 -3.736 -14.704 3.019 1.00 0.00 C ATOM 1345 O HIS A 85 -4.587 -15.485 3.397 1.00 0.00 O ATOM 1346 CB HIS A 85 -4.031 -12.228 3.340 1.00 0.00 C ATOM 1347 CG HIS A 85 -5.461 -12.527 2.958 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.936 -12.322 1.673 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -6.520 -13.028 3.674 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -7.229 -12.693 1.654 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.636 -13.133 2.849 1.00 0.00 N ATOM 0 H HIS A 85 -1.493 -12.885 2.984 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.657 -13.684 4.907 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -4.007 -11.442 4.095 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.487 -11.853 2.473 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -5.402 -11.956 0.884 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.491 -13.299 4.719 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.861 -12.642 0.780 1.00 0.00 H new ATOM 1359 N GLU A 86 -3.152 -14.861 1.863 1.00 0.00 N ATOM 1360 CA GLU A 86 -3.539 -16.017 0.998 1.00 0.00 C ATOM 1361 C GLU A 86 -2.852 -17.294 1.483 1.00 0.00 C ATOM 1362 O GLU A 86 -3.381 -18.380 1.349 1.00 0.00 O ATOM 1363 CB GLU A 86 -3.130 -15.737 -0.451 1.00 0.00 C ATOM 1364 CG GLU A 86 -1.607 -15.674 -0.546 1.00 0.00 C ATOM 1365 CD GLU A 86 -1.199 -15.063 -1.889 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -2.071 -14.563 -2.581 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -0.021 -15.106 -2.203 1.00 0.00 O ATOM 0 H GLU A 86 -2.432 -14.248 1.481 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.619 -16.151 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.514 -16.519 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.565 -14.796 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.206 -15.077 0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.185 -16.674 -0.447 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.682 -17.180 2.046 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.978 -18.400 2.534 1.00 0.00 C ATOM 1376 C PHE A 87 -1.750 -18.992 3.712 1.00 0.00 C ATOM 1377 O PHE A 87 -2.010 -20.178 3.765 1.00 0.00 O ATOM 1378 CB PHE A 87 0.438 -18.036 2.982 1.00 0.00 C ATOM 1379 CG PHE A 87 1.197 -19.299 3.312 1.00 0.00 C ATOM 1380 CD1 PHE A 87 1.105 -19.856 4.593 1.00 0.00 C ATOM 1381 CD2 PHE A 87 1.990 -19.915 2.336 1.00 0.00 C ATOM 1382 CE1 PHE A 87 1.806 -21.029 4.899 1.00 0.00 C ATOM 1383 CE2 PHE A 87 2.691 -21.088 2.642 1.00 0.00 C ATOM 1384 CZ PHE A 87 2.598 -21.644 3.923 1.00 0.00 C ATOM 0 H PHE A 87 -1.185 -16.301 2.189 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.922 -19.132 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.951 -17.485 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.399 -17.383 3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.493 -19.381 5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.061 -19.486 1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.735 -21.459 5.887 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.303 -21.563 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.138 -22.549 4.159 1.00 0.00 H new ATOM 1394 N PHE A 88 -2.120 -18.177 4.661 1.00 0.00 N ATOM 1395 CA PHE A 88 -2.877 -18.692 5.835 1.00 0.00 C ATOM 1396 C PHE A 88 -4.287 -19.090 5.397 1.00 0.00 C ATOM 1397 O PHE A 88 -4.843 -20.063 5.868 1.00 0.00 O ATOM 1398 CB PHE A 88 -2.963 -17.602 6.904 1.00 0.00 C ATOM 1399 CG PHE A 88 -3.643 -18.156 8.136 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -2.927 -18.968 9.023 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -4.987 -17.857 8.391 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -3.555 -19.483 10.163 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -5.615 -18.371 9.531 1.00 0.00 C ATOM 1404 CZ PHE A 88 -4.898 -19.184 10.418 1.00 0.00 C ATOM 0 H PHE A 88 -1.930 -17.175 4.673 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.365 -19.562 6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.964 -17.246 7.156 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.520 -16.746 6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.890 -19.197 8.828 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.539 -17.229 7.707 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.003 -20.111 10.846 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.652 -18.141 9.727 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.382 -19.580 11.299 1.00 0.00 H new ATOM 1414 N GLU A 89 -4.874 -18.345 4.497 1.00 0.00 N ATOM 1415 CA GLU A 89 -6.252 -18.676 4.026 1.00 0.00 C ATOM 1416 C GLU A 89 -6.167 -19.617 2.822 1.00 0.00 C ATOM 1417 O GLU A 89 -6.984 -19.566 1.925 1.00 0.00 O ATOM 1418 CB GLU A 89 -6.978 -17.384 3.619 1.00 0.00 C ATOM 1419 CG GLU A 89 -8.495 -17.615 3.622 1.00 0.00 C ATOM 1420 CD GLU A 89 -9.194 -16.522 2.806 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -8.678 -15.416 2.759 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -10.237 -16.812 2.243 1.00 0.00 O ATOM 0 H GLU A 89 -4.457 -17.519 4.067 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.804 -19.164 4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.722 -16.580 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.651 -17.069 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.723 -18.595 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.870 -17.612 4.646 1.00 0.00 H new ATOM 1429 N HIS A 90 -5.184 -20.476 2.790 1.00 0.00 N ATOM 1430 CA HIS A 90 -5.062 -21.409 1.638 1.00 0.00 C ATOM 1431 C HIS A 90 -6.186 -22.444 1.696 1.00 0.00 C ATOM 1432 O HIS A 90 -6.119 -23.411 2.431 1.00 0.00 O ATOM 1433 CB HIS A 90 -3.710 -22.122 1.699 1.00 0.00 C ATOM 1434 CG HIS A 90 -3.509 -22.923 0.442 1.00 0.00 C ATOM 1435 ND1 HIS A 90 -3.077 -22.344 -0.742 1.00 0.00 N ATOM 1436 CD2 HIS A 90 -3.679 -24.258 0.167 1.00 0.00 C ATOM 1437 CE1 HIS A 90 -3.001 -23.320 -1.667 1.00 0.00 C ATOM 1438 NE2 HIS A 90 -3.357 -24.502 -1.163 1.00 0.00 N ATOM 0 H HIS A 90 -4.465 -20.570 3.508 1.00 0.00 H new ATOM 0 HA HIS A 90 -5.135 -20.846 0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.907 -21.393 1.811 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.671 -22.776 2.570 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -4.011 -25.003 0.875 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.690 -23.165 -2.690 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -3.387 -25.397 -1.651 1.00 0.00 H new ATOM 1447 N GLU A 91 -7.219 -22.249 0.925 1.00 0.00 N ATOM 1448 CA GLU A 91 -8.351 -23.218 0.929 1.00 0.00 C ATOM 1449 C GLU A 91 -7.894 -24.534 0.298 1.00 0.00 C ATOM 1450 O GLU A 91 -7.485 -25.414 1.038 1.00 0.00 O ATOM 1451 CB GLU A 91 -9.515 -22.640 0.121 1.00 0.00 C ATOM 1452 CG GLU A 91 -10.683 -23.629 0.114 1.00 0.00 C ATOM 1453 CD GLU A 91 -11.889 -22.988 -0.576 1.00 0.00 C ATOM 1454 OE1 GLU A 91 -11.677 -22.168 -1.453 1.00 0.00 O ATOM 1455 OE2 GLU A 91 -13.004 -23.329 -0.216 1.00 0.00 O ATOM 1456 OXT GLU A 91 -7.960 -24.642 -0.915 1.00 0.00 O ATOM 0 H GLU A 91 -7.329 -21.458 0.290 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.675 -23.400 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.833 -21.691 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.194 -22.435 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.396 -24.543 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.942 -23.910 1.135 1.00 0.00 H new TER 1463 GLU A 91 ATOM 1464 N MET B 0 9.120 -8.095 14.118 1.00 0.00 N ATOM 1465 CA MET B 0 7.868 -7.294 14.013 1.00 0.00 C ATOM 1466 C MET B 0 8.205 -5.804 14.136 1.00 0.00 C ATOM 1467 O MET B 0 8.310 -5.273 15.223 1.00 0.00 O ATOM 1468 CB MET B 0 6.903 -7.709 15.134 1.00 0.00 C ATOM 1469 CG MET B 0 7.693 -7.988 16.415 1.00 0.00 C ATOM 1470 SD MET B 0 6.550 -8.105 17.815 1.00 0.00 S ATOM 1471 CE MET B 0 7.775 -8.544 19.072 1.00 0.00 C ATOM 0 H1 MET B 0 8.885 -9.075 14.374 1.00 0.00 H new ATOM 0 H2 MET B 0 9.616 -8.085 13.204 1.00 0.00 H new ATOM 0 H3 MET B 0 9.734 -7.684 14.850 1.00 0.00 H new ATOM 0 HA MET B 0 7.394 -7.474 13.048 1.00 0.00 H new ATOM 0 HB2 MET B 0 6.173 -6.919 15.310 1.00 0.00 H new ATOM 0 HB3 MET B 0 6.346 -8.598 14.838 1.00 0.00 H new ATOM 0 HG2 MET B 0 8.256 -8.916 16.313 1.00 0.00 H new ATOM 0 HG3 MET B 0 8.418 -7.193 16.589 1.00 0.00 H new ATOM 0 HE1 MET B 0 7.280 -8.668 20.035 1.00 0.00 H new ATOM 0 HE2 MET B 0 8.264 -9.477 18.793 1.00 0.00 H new ATOM 0 HE3 MET B 0 8.520 -7.752 19.146 1.00 0.00 H new ATOM 1483 N SER B 1 8.383 -5.128 13.025 1.00 0.00 N ATOM 1484 CA SER B 1 8.723 -3.669 13.061 1.00 0.00 C ATOM 1485 C SER B 1 7.523 -2.837 12.607 1.00 0.00 C ATOM 1486 O SER B 1 6.454 -3.349 12.342 1.00 0.00 O ATOM 1487 CB SER B 1 9.901 -3.405 12.125 1.00 0.00 C ATOM 1488 OG SER B 1 9.707 -4.122 10.913 1.00 0.00 O ATOM 0 H SER B 1 8.307 -5.527 12.089 1.00 0.00 H new ATOM 0 HA SER B 1 8.986 -3.389 14.081 1.00 0.00 H new ATOM 0 HB2 SER B 1 9.986 -2.338 11.920 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.833 -3.714 12.599 1.00 0.00 H new ATOM 0 HG SER B 1 9.228 -3.557 10.272 1.00 0.00 H new ATOM 1494 N GLU B 2 7.710 -1.548 12.516 1.00 0.00 N ATOM 1495 CA GLU B 2 6.599 -0.655 12.081 1.00 0.00 C ATOM 1496 C GLU B 2 5.960 -1.219 10.812 1.00 0.00 C ATOM 1497 O GLU B 2 4.783 -1.047 10.569 1.00 0.00 O ATOM 1498 CB GLU B 2 7.150 0.744 11.791 1.00 0.00 C ATOM 1499 CG GLU B 2 7.493 1.438 13.109 1.00 0.00 C ATOM 1500 CD GLU B 2 8.265 2.729 12.824 1.00 0.00 C ATOM 1501 OE1 GLU B 2 9.264 2.658 12.129 1.00 0.00 O ATOM 1502 OE2 GLU B 2 7.842 3.767 13.308 1.00 0.00 O ATOM 0 H GLU B 2 8.588 -1.074 12.725 1.00 0.00 H new ATOM 0 HA GLU B 2 5.852 -0.596 12.872 1.00 0.00 H new ATOM 0 HB2 GLU B 2 8.038 0.674 11.162 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.414 1.330 11.240 1.00 0.00 H new ATOM 0 HG2 GLU B 2 6.581 1.662 13.662 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.091 0.776 13.736 1.00 0.00 H new ATOM 1509 N LEU B 3 6.728 -1.885 9.997 1.00 0.00 N ATOM 1510 CA LEU B 3 6.153 -2.446 8.738 1.00 0.00 C ATOM 1511 C LEU B 3 5.318 -3.691 9.072 1.00 0.00 C ATOM 1512 O LEU B 3 4.430 -4.064 8.334 1.00 0.00 O ATOM 1513 CB LEU B 3 7.296 -2.801 7.750 1.00 0.00 C ATOM 1514 CG LEU B 3 7.474 -1.670 6.716 1.00 0.00 C ATOM 1515 CD1 LEU B 3 8.860 -1.753 6.060 1.00 0.00 C ATOM 1516 CD2 LEU B 3 6.396 -1.778 5.623 1.00 0.00 C ATOM 0 H LEU B 3 7.721 -2.066 10.144 1.00 0.00 H new ATOM 0 HA LEU B 3 5.508 -1.705 8.265 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.226 -2.953 8.298 1.00 0.00 H new ATOM 0 HB3 LEU B 3 7.069 -3.738 7.241 1.00 0.00 H new ATOM 0 HG LEU B 3 7.378 -0.717 7.235 1.00 0.00 H new ATOM 0 HD11 LEU B 3 8.968 -0.947 5.334 1.00 0.00 H new ATOM 0 HD12 LEU B 3 9.631 -1.657 6.825 1.00 0.00 H new ATOM 0 HD13 LEU B 3 8.967 -2.713 5.555 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.531 -0.975 4.898 1.00 0.00 H new ATOM 0 HD22 LEU B 3 6.484 -2.740 5.119 1.00 0.00 H new ATOM 0 HD23 LEU B 3 5.408 -1.695 6.077 1.00 0.00 H new ATOM 1528 N GLU B 4 5.580 -4.327 10.180 1.00 0.00 N ATOM 1529 CA GLU B 4 4.786 -5.531 10.552 1.00 0.00 C ATOM 1530 C GLU B 4 3.477 -5.077 11.198 1.00 0.00 C ATOM 1531 O GLU B 4 2.469 -5.751 11.128 1.00 0.00 O ATOM 1532 CB GLU B 4 5.584 -6.390 11.540 1.00 0.00 C ATOM 1533 CG GLU B 4 4.702 -7.532 12.078 1.00 0.00 C ATOM 1534 CD GLU B 4 3.854 -7.046 13.261 1.00 0.00 C ATOM 1535 OE1 GLU B 4 3.985 -5.891 13.632 1.00 0.00 O ATOM 1536 OE2 GLU B 4 3.087 -7.843 13.776 1.00 0.00 O ATOM 0 H GLU B 4 6.309 -4.065 10.843 1.00 0.00 H new ATOM 0 HA GLU B 4 4.571 -6.124 9.663 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.465 -6.801 11.048 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.939 -5.774 12.366 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.052 -7.902 11.285 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.329 -8.367 12.391 1.00 0.00 H new ATOM 1543 N LYS B 5 3.490 -3.931 11.820 1.00 0.00 N ATOM 1544 CA LYS B 5 2.255 -3.412 12.467 1.00 0.00 C ATOM 1545 C LYS B 5 1.263 -3.004 11.378 1.00 0.00 C ATOM 1546 O LYS B 5 0.088 -3.302 11.447 1.00 0.00 O ATOM 1547 CB LYS B 5 2.619 -2.190 13.334 1.00 0.00 C ATOM 1548 CG LYS B 5 3.058 -2.654 14.736 1.00 0.00 C ATOM 1549 CD LYS B 5 3.967 -1.591 15.410 1.00 0.00 C ATOM 1550 CE LYS B 5 5.442 -2.004 15.302 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.746 -3.026 16.344 1.00 0.00 N ATOM 0 H LYS B 5 4.309 -3.329 11.908 1.00 0.00 H new ATOM 0 HA LYS B 5 1.805 -4.178 13.098 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.421 -1.624 12.861 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.762 -1.522 13.414 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.180 -2.833 15.356 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.593 -3.601 14.660 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.818 -0.622 14.935 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.690 -1.478 16.458 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.647 -2.407 14.310 1.00 0.00 H new ATOM 0 HE3 LYS B 5 6.085 -1.134 15.431 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.745 -3.308 16.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.565 -2.625 17.287 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 5.140 -3.859 16.200 1.00 0.00 H new ATOM 1565 N ALA B 6 1.731 -2.322 10.372 1.00 0.00 N ATOM 1566 CA ALA B 6 0.819 -1.895 9.277 1.00 0.00 C ATOM 1567 C ALA B 6 0.260 -3.126 8.577 1.00 0.00 C ATOM 1568 O ALA B 6 -0.924 -3.229 8.329 1.00 0.00 O ATOM 1569 CB ALA B 6 1.589 -1.035 8.272 1.00 0.00 C ATOM 0 H ALA B 6 2.705 -2.042 10.261 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.001 -1.310 9.694 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.919 -0.724 7.471 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.986 -0.154 8.776 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.411 -1.614 7.852 1.00 0.00 H new ATOM 1575 N MET B 7 1.100 -4.066 8.260 1.00 0.00 N ATOM 1576 CA MET B 7 0.606 -5.291 7.581 1.00 0.00 C ATOM 1577 C MET B 7 -0.523 -5.900 8.409 1.00 0.00 C ATOM 1578 O MET B 7 -1.525 -6.337 7.888 1.00 0.00 O ATOM 1579 CB MET B 7 1.733 -6.325 7.479 1.00 0.00 C ATOM 1580 CG MET B 7 2.833 -5.845 6.530 1.00 0.00 C ATOM 1581 SD MET B 7 4.359 -6.740 6.926 1.00 0.00 S ATOM 1582 CE MET B 7 5.524 -5.702 6.007 1.00 0.00 C ATOM 0 H MET B 7 2.104 -4.040 8.441 1.00 0.00 H new ATOM 0 HA MET B 7 0.255 -5.025 6.584 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.155 -6.507 8.467 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.330 -7.274 7.124 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.546 -6.025 5.494 1.00 0.00 H new ATOM 0 HG3 MET B 7 2.984 -4.771 6.637 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.520 -5.802 6.439 1.00 0.00 H new ATOM 0 HE2 MET B 7 5.547 -6.017 4.964 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.207 -4.661 6.064 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.355 -5.943 9.702 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.406 -6.545 10.572 1.00 0.00 C ATOM 1594 C VAL B 8 -2.664 -5.674 10.545 1.00 0.00 C ATOM 1595 O VAL B 8 -3.756 -6.151 10.311 1.00 0.00 O ATOM 1596 CB VAL B 8 -0.869 -6.650 12.007 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.012 -6.964 12.978 1.00 0.00 C ATOM 1598 CG2 VAL B 8 0.173 -7.770 12.074 1.00 0.00 C ATOM 0 H VAL B 8 0.464 -5.587 10.194 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.661 -7.539 10.206 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.415 -5.700 12.288 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.619 -7.036 13.992 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.756 -6.169 12.933 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.475 -7.911 12.701 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.558 -7.849 13.091 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.289 -8.714 11.787 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.993 -7.545 11.392 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.518 -4.409 10.796 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.707 -3.513 10.800 1.00 0.00 C ATOM 1610 C ALA B 9 -4.441 -3.600 9.456 1.00 0.00 C ATOM 1611 O ALA B 9 -5.646 -3.438 9.387 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.252 -2.071 11.039 1.00 0.00 C ATOM 0 H ALA B 9 -1.628 -3.953 10.999 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.385 -3.824 11.594 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.120 -1.412 11.043 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.742 -2.005 12.000 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.570 -1.768 10.245 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.735 -3.838 8.382 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.413 -3.904 7.056 1.00 0.00 C ATOM 1620 C LEU B 10 -5.101 -5.263 6.863 1.00 0.00 C ATOM 1621 O LEU B 10 -6.227 -5.328 6.438 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.363 -3.673 5.957 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.128 -2.149 5.755 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -1.650 -1.874 5.452 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -3.991 -1.637 4.590 1.00 0.00 C ATOM 0 H LEU B 10 -2.726 -3.988 8.366 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.182 -3.134 7.001 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.427 -4.160 6.229 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.697 -4.124 5.023 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.407 -1.630 6.672 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.500 -0.803 5.313 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -1.037 -2.221 6.284 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.361 -2.402 4.543 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.822 -0.569 4.454 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.720 -2.167 3.677 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -5.044 -1.812 4.813 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.438 -6.339 7.169 1.00 0.00 N ATOM 1638 CA ILE B 11 -5.062 -7.688 6.988 1.00 0.00 C ATOM 1639 C ILE B 11 -6.481 -7.681 7.569 1.00 0.00 C ATOM 1640 O ILE B 11 -7.366 -8.347 7.070 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.212 -8.749 7.705 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -2.935 -8.989 6.899 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -4.988 -10.068 7.814 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -1.946 -9.816 7.724 1.00 0.00 C ATOM 0 H ILE B 11 -3.487 -6.349 7.538 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.111 -7.925 5.925 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.969 -8.395 8.707 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.173 -9.510 5.971 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.484 -8.036 6.623 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.374 -10.810 8.324 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.905 -9.905 8.380 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.237 -10.427 6.815 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.039 -9.983 7.144 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.697 -9.279 8.639 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.397 -10.776 7.977 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.702 -6.946 8.621 1.00 0.00 N ATOM 1657 CA ASP B 12 -8.064 -6.919 9.228 1.00 0.00 C ATOM 1658 C ASP B 12 -9.008 -6.094 8.355 1.00 0.00 C ATOM 1659 O ASP B 12 -10.075 -6.543 7.986 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.991 -6.301 10.625 1.00 0.00 C ATOM 1661 CG ASP B 12 -7.036 -7.119 11.494 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -6.907 -8.306 11.244 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -6.449 -6.545 12.397 1.00 0.00 O ATOM 0 H ASP B 12 -6.004 -6.365 9.086 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.442 -7.939 9.300 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.647 -5.269 10.560 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -8.983 -6.279 11.077 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.631 -4.894 8.019 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.518 -4.051 7.167 1.00 0.00 C ATOM 1670 C VAL B 13 -9.432 -4.535 5.717 1.00 0.00 C ATOM 1671 O VAL B 13 -10.341 -4.346 4.934 1.00 0.00 O ATOM 1672 CB VAL B 13 -9.095 -2.577 7.265 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -10.237 -1.669 6.797 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.757 -2.245 8.721 1.00 0.00 C ATOM 0 H VAL B 13 -7.750 -4.460 8.295 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.548 -4.137 7.514 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.223 -2.414 6.631 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.927 -0.627 6.871 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.486 -1.901 5.761 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.112 -1.832 7.426 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.456 -1.200 8.796 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.634 -2.416 9.346 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -7.940 -2.883 9.059 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.340 -5.150 5.351 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.200 -5.632 3.945 1.00 0.00 C ATOM 1686 C PHE B 14 -9.158 -6.807 3.688 1.00 0.00 C ATOM 1687 O PHE B 14 -9.805 -6.872 2.665 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.748 -6.071 3.686 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.669 -6.956 2.454 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -7.243 -6.535 1.248 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -6.031 -8.202 2.527 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -7.179 -7.359 0.118 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -5.971 -9.024 1.398 1.00 0.00 C ATOM 1694 CZ PHE B 14 -6.544 -8.604 0.195 1.00 0.00 C ATOM 0 H PHE B 14 -7.543 -5.339 5.959 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.454 -4.818 3.266 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.116 -5.194 3.551 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.365 -6.610 4.553 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -7.735 -5.575 1.190 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.586 -8.527 3.456 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -7.620 -7.034 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -5.481 -9.985 1.456 1.00 0.00 H new ATOM 0 HZ PHE B 14 -6.497 -9.240 -0.676 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.225 -7.750 4.585 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.109 -8.932 4.357 1.00 0.00 C ATOM 1706 C HIS B 15 -11.581 -8.582 4.632 1.00 0.00 C ATOM 1707 O HIS B 15 -12.471 -9.084 3.978 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.663 -10.072 5.289 1.00 0.00 C ATOM 1709 CG HIS B 15 -10.017 -11.419 4.703 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -9.562 -12.601 5.269 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -10.764 -11.795 3.607 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -10.030 -13.616 4.523 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -10.766 -13.182 3.498 1.00 0.00 N ATOM 0 H HIS B 15 -8.708 -7.756 5.465 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.025 -9.241 3.315 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.587 -10.014 5.452 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.139 -9.958 6.263 1.00 0.00 H new ATOM 0 HD1 HIS B 15 -8.978 -12.685 6.101 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -11.270 -11.117 2.936 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -9.834 -14.658 4.728 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.848 -7.752 5.601 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.270 -7.411 5.916 1.00 0.00 C ATOM 1723 C GLN B 16 -13.907 -6.596 4.783 1.00 0.00 C ATOM 1724 O GLN B 16 -15.037 -6.831 4.391 1.00 0.00 O ATOM 1725 CB GLN B 16 -13.315 -6.597 7.212 1.00 0.00 C ATOM 1726 CG GLN B 16 -13.040 -7.518 8.403 1.00 0.00 C ATOM 1727 CD GLN B 16 -12.849 -6.679 9.667 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -13.301 -5.455 9.699 1.00 0.00 O flip ATOM 1729 NE2 GLN B 16 -12.283 -7.142 10.638 1.00 0.00 N flip ATOM 0 H GLN B 16 -11.150 -7.295 6.188 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.832 -8.338 6.030 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.574 -5.798 7.178 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -14.290 -6.123 7.323 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.869 -8.213 8.537 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.149 -8.117 8.214 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -11.929 -8.098 10.614 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -12.162 -6.574 11.477 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.199 -5.650 4.234 1.00 0.00 N ATOM 1739 CA TYR B 17 -13.793 -4.841 3.128 1.00 0.00 C ATOM 1740 C TYR B 17 -13.602 -5.577 1.807 1.00 0.00 C ATOM 1741 O TYR B 17 -14.560 -5.925 1.150 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.125 -3.460 3.086 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.744 -2.582 4.153 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.269 -2.638 5.469 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.803 -1.725 3.827 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -13.851 -1.836 6.459 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.386 -0.924 4.817 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.910 -0.979 6.133 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.485 -0.190 7.109 1.00 0.00 O ATOM 0 H TYR B 17 -12.245 -5.402 4.497 1.00 0.00 H new ATOM 0 HA TYR B 17 -14.861 -4.702 3.299 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.052 -3.555 3.252 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.256 -3.008 2.103 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.454 -3.300 5.721 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -15.170 -1.682 2.812 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.483 -1.878 7.474 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.203 -0.264 4.566 1.00 0.00 H new ATOM 0 HH TYR B 17 -16.460 -0.205 7.010 1.00 0.00 H new ATOM 1759 N SER B 18 -12.392 -5.854 1.418 1.00 0.00 N ATOM 1760 CA SER B 18 -12.195 -6.603 0.147 1.00 0.00 C ATOM 1761 C SER B 18 -13.058 -7.870 0.207 1.00 0.00 C ATOM 1762 O SER B 18 -13.372 -8.473 -0.799 1.00 0.00 O ATOM 1763 CB SER B 18 -10.723 -6.989 -0.004 1.00 0.00 C ATOM 1764 OG SER B 18 -9.910 -5.882 0.362 1.00 0.00 O ATOM 0 H SER B 18 -11.540 -5.599 1.917 1.00 0.00 H new ATOM 0 HA SER B 18 -12.482 -5.986 -0.705 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.493 -7.848 0.626 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.516 -7.284 -1.033 1.00 0.00 H new ATOM 0 HG SER B 18 -9.359 -6.123 1.136 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.433 -8.275 1.401 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.269 -9.506 1.571 1.00 0.00 C ATOM 1772 C GLY B 19 -15.744 -9.139 1.767 1.00 0.00 C ATOM 1773 O GLY B 19 -16.571 -9.995 2.013 1.00 0.00 O ATOM 0 H GLY B 19 -13.192 -7.800 2.271 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.162 -10.147 0.696 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -13.914 -10.076 2.429 1.00 0.00 H new ATOM 1777 N ARG B 20 -16.093 -7.886 1.664 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.522 -7.495 1.850 1.00 0.00 C ATOM 1779 C ARG B 20 -18.359 -7.886 0.626 1.00 0.00 C ATOM 1780 O ARG B 20 -19.424 -8.457 0.758 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.612 -5.982 2.044 1.00 0.00 C ATOM 1782 CG ARG B 20 -19.019 -5.594 2.518 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.226 -4.089 2.318 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.444 -3.650 3.056 1.00 0.00 N ATOM 1785 CZ ARG B 20 -20.427 -3.578 4.359 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -19.348 -3.904 5.017 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -21.489 -3.180 5.004 1.00 0.00 N ATOM 0 H ARG B 20 -15.454 -7.117 1.460 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.910 -8.016 2.726 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -16.871 -5.656 2.774 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.382 -5.473 1.108 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.770 -6.153 1.960 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.145 -5.853 3.569 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.354 -3.541 2.676 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -19.331 -3.864 1.257 1.00 0.00 H new ATOM 0 HE ARG B 20 -21.291 -3.406 2.543 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -18.518 -4.215 4.513 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -19.335 -3.848 6.035 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.332 -2.925 4.490 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -21.476 -3.124 6.022 1.00 0.00 H new ATOM 1801 N GLU B 21 -17.912 -7.550 -0.561 1.00 0.00 N ATOM 1802 CA GLU B 21 -18.709 -7.866 -1.793 1.00 0.00 C ATOM 1803 C GLU B 21 -17.791 -8.449 -2.877 1.00 0.00 C ATOM 1804 O GLU B 21 -16.583 -8.323 -2.818 1.00 0.00 O ATOM 1805 CB GLU B 21 -19.355 -6.552 -2.273 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.849 -6.669 -3.723 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.936 -5.623 -3.987 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -21.985 -5.719 -3.371 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -20.701 -4.745 -4.802 1.00 0.00 O ATOM 0 H GLU B 21 -17.028 -7.070 -0.732 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.479 -8.608 -1.580 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -20.191 -6.296 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -18.632 -5.740 -2.198 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -19.017 -6.525 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -20.243 -7.669 -3.903 1.00 0.00 H new ATOM 1816 N GLY B 22 -18.359 -9.088 -3.871 1.00 0.00 N ATOM 1817 CA GLY B 22 -17.533 -9.675 -4.968 1.00 0.00 C ATOM 1818 C GLY B 22 -17.019 -11.054 -4.555 1.00 0.00 C ATOM 1819 O GLY B 22 -17.379 -11.577 -3.520 1.00 0.00 O ATOM 0 H GLY B 22 -19.365 -9.228 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -18.127 -9.757 -5.878 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -16.693 -9.018 -5.194 1.00 0.00 H new ATOM 1823 N ASP B 23 -16.164 -11.640 -5.351 1.00 0.00 N ATOM 1824 CA ASP B 23 -15.610 -12.976 -4.995 1.00 0.00 C ATOM 1825 C ASP B 23 -14.579 -12.789 -3.882 1.00 0.00 C ATOM 1826 O ASP B 23 -13.588 -13.486 -3.813 1.00 0.00 O ATOM 1827 CB ASP B 23 -14.939 -13.600 -6.219 1.00 0.00 C ATOM 1828 CG ASP B 23 -15.907 -13.568 -7.403 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -16.482 -12.519 -7.644 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -16.057 -14.593 -8.048 1.00 0.00 O ATOM 0 H ASP B 23 -15.827 -11.250 -6.231 1.00 0.00 H new ATOM 0 HA ASP B 23 -16.410 -13.636 -4.659 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.028 -13.054 -6.465 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.646 -14.627 -6.002 1.00 0.00 H new ATOM 1835 N LYS B 24 -14.829 -11.840 -3.019 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.916 -11.530 -1.880 1.00 0.00 C ATOM 1837 C LYS B 24 -12.450 -11.473 -2.326 1.00 0.00 C ATOM 1838 O LYS B 24 -12.112 -11.762 -3.454 1.00 0.00 O ATOM 1839 CB LYS B 24 -14.106 -12.534 -0.728 1.00 0.00 C ATOM 1840 CG LYS B 24 -13.796 -13.967 -1.171 1.00 0.00 C ATOM 1841 CD LYS B 24 -13.765 -14.874 0.062 1.00 0.00 C ATOM 1842 CE LYS B 24 -13.451 -16.313 -0.362 1.00 0.00 C ATOM 1843 NZ LYS B 24 -14.678 -16.945 -0.924 1.00 0.00 N ATOM 0 H LYS B 24 -15.658 -11.247 -3.059 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.182 -10.539 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -13.456 -12.261 0.104 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -15.132 -12.479 -0.363 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -14.551 -14.315 -1.876 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -12.837 -14.002 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -13.013 -14.520 0.767 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -14.725 -14.838 0.576 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -12.653 -16.319 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -13.094 -16.886 0.494 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -14.474 -17.932 -1.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -15.437 -16.922 -0.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -14.981 -16.423 -1.771 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.589 -11.045 -1.440 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.141 -10.904 -1.774 1.00 0.00 C ATOM 1859 C HIS B 25 -9.971 -9.834 -2.850 1.00 0.00 C ATOM 1860 O HIS B 25 -8.870 -9.544 -3.276 1.00 0.00 O ATOM 1861 CB HIS B 25 -9.555 -12.232 -2.269 1.00 0.00 C ATOM 1862 CG HIS B 25 -9.972 -13.357 -1.359 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -10.055 -13.213 0.021 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -10.313 -14.661 -1.620 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -10.431 -14.401 0.529 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -10.600 -15.313 -0.428 1.00 0.00 N ATOM 0 H HIS B 25 -11.832 -10.783 -0.485 1.00 0.00 H new ATOM 0 HA HIS B 25 -9.605 -10.612 -0.871 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.895 -12.432 -3.285 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.467 -12.167 -2.304 1.00 0.00 H new ATOM 0 HD1 HIS B 25 -9.866 -12.363 0.551 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -10.352 -15.110 -2.601 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.578 -14.592 1.582 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.051 -9.234 -3.287 1.00 0.00 N ATOM 1875 CA LYS B 26 -10.974 -8.167 -4.327 1.00 0.00 C ATOM 1876 C LYS B 26 -11.673 -6.922 -3.787 1.00 0.00 C ATOM 1877 O LYS B 26 -12.673 -7.009 -3.101 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.710 -8.645 -5.588 1.00 0.00 C ATOM 1879 CG LYS B 26 -10.774 -9.512 -6.447 1.00 0.00 C ATOM 1880 CD LYS B 26 -9.921 -8.618 -7.369 1.00 0.00 C ATOM 1881 CE LYS B 26 -8.607 -9.323 -7.700 1.00 0.00 C ATOM 1882 NZ LYS B 26 -7.971 -8.663 -8.874 1.00 0.00 N ATOM 0 H LYS B 26 -11.995 -9.443 -2.961 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.935 -7.945 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -12.594 -9.218 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.055 -7.787 -6.165 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.126 -10.108 -5.804 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.359 -10.210 -7.045 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.468 -8.399 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -9.720 -7.664 -6.882 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -7.936 -9.287 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -8.791 -10.375 -7.917 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -6.940 -8.634 -8.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -8.192 -9.200 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -8.336 -7.693 -8.967 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.156 -5.767 -4.086 1.00 0.00 N ATOM 1897 CA LEU B 27 -11.792 -4.510 -3.582 1.00 0.00 C ATOM 1898 C LEU B 27 -12.848 -4.024 -4.588 1.00 0.00 C ATOM 1899 O LEU B 27 -12.556 -3.757 -5.739 1.00 0.00 O ATOM 1900 CB LEU B 27 -10.701 -3.444 -3.387 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.178 -2.291 -2.477 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -12.314 -1.520 -3.143 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -11.616 -2.819 -1.098 1.00 0.00 C ATOM 0 H LEU B 27 -10.321 -5.633 -4.657 1.00 0.00 H new ATOM 0 HA LEU B 27 -12.286 -4.697 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -9.815 -3.907 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -10.408 -3.043 -4.357 1.00 0.00 H new ATOM 0 HG LEU B 27 -10.340 -1.611 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.638 -0.711 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.966 -1.104 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.151 -2.193 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -11.947 -1.986 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.436 -3.527 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -10.776 -3.319 -0.616 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.080 -3.917 -4.142 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.200 -3.463 -5.018 1.00 0.00 C ATOM 1917 C LYS B 28 -15.557 -2.007 -4.669 1.00 0.00 C ATOM 1918 O LYS B 28 -15.447 -1.595 -3.537 1.00 0.00 O ATOM 1919 CB LYS B 28 -16.426 -4.366 -4.758 1.00 0.00 C ATOM 1920 CG LYS B 28 -15.978 -5.767 -4.306 1.00 0.00 C ATOM 1921 CD LYS B 28 -15.321 -6.510 -5.477 1.00 0.00 C ATOM 1922 CE LYS B 28 -16.369 -6.854 -6.551 1.00 0.00 C ATOM 1923 NZ LYS B 28 -16.418 -5.763 -7.566 1.00 0.00 N ATOM 0 H LYS B 28 -14.357 -4.132 -3.184 1.00 0.00 H new ATOM 0 HA LYS B 28 -14.906 -3.524 -6.066 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.060 -3.917 -3.994 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.026 -4.445 -5.665 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.275 -5.683 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.836 -6.332 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.535 -5.893 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.847 -7.423 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -16.117 -7.800 -7.030 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -17.349 -6.981 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -17.342 -5.288 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.665 -5.073 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -16.281 -6.166 -8.515 1.00 0.00 H new ATOM 1937 N LYS B 29 -15.997 -1.227 -5.618 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.363 0.188 -5.301 1.00 0.00 C ATOM 1939 C LYS B 29 -17.218 0.234 -4.024 1.00 0.00 C ATOM 1940 O LYS B 29 -16.977 1.022 -3.133 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.157 0.785 -6.469 1.00 0.00 C ATOM 1942 CG LYS B 29 -16.249 0.916 -7.701 1.00 0.00 C ATOM 1943 CD LYS B 29 -16.874 1.883 -8.716 1.00 0.00 C ATOM 1944 CE LYS B 29 -18.134 1.262 -9.327 1.00 0.00 C ATOM 1945 NZ LYS B 29 -17.819 -0.096 -9.854 1.00 0.00 N ATOM 0 H LYS B 29 -16.119 -1.503 -6.592 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.453 0.766 -5.144 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.012 0.150 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.552 1.762 -6.191 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.265 1.277 -7.401 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.103 -0.062 -8.160 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.124 2.825 -8.227 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.155 2.113 -9.502 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.921 1.198 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -18.511 1.896 -10.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -18.481 -0.333 -10.620 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.846 -0.109 -10.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.909 -0.795 -9.089 1.00 0.00 H new ATOM 1959 N SER B 30 -18.215 -0.606 -3.934 1.00 0.00 N ATOM 1960 CA SER B 30 -19.087 -0.613 -2.721 1.00 0.00 C ATOM 1961 C SER B 30 -18.228 -0.719 -1.456 1.00 0.00 C ATOM 1962 O SER B 30 -18.690 -0.473 -0.366 1.00 0.00 O ATOM 1963 CB SER B 30 -20.041 -1.805 -2.783 1.00 0.00 C ATOM 1964 OG SER B 30 -21.034 -1.560 -3.773 1.00 0.00 O ATOM 0 H SER B 30 -18.464 -1.289 -4.649 1.00 0.00 H new ATOM 0 HA SER B 30 -19.658 0.315 -2.691 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.490 -2.715 -3.021 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.510 -1.961 -1.812 1.00 0.00 H new ATOM 0 HG SER B 30 -21.647 -2.323 -3.817 1.00 0.00 H new ATOM 1970 N GLU B 31 -16.968 -1.032 -1.605 1.00 0.00 N ATOM 1971 CA GLU B 31 -16.062 -1.102 -0.420 1.00 0.00 C ATOM 1972 C GLU B 31 -15.223 0.155 -0.411 1.00 0.00 C ATOM 1973 O GLU B 31 -14.961 0.733 0.619 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.185 -2.348 -0.505 1.00 0.00 C ATOM 1975 CG GLU B 31 -16.003 -3.593 -0.101 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.580 -4.803 -0.947 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -14.437 -4.832 -1.372 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -16.408 -5.675 -1.153 1.00 0.00 O ATOM 0 H GLU B 31 -16.525 -1.243 -2.499 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.635 -1.170 0.504 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.803 -2.466 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.321 -2.241 0.151 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -15.852 -3.809 0.957 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -17.067 -3.398 -0.238 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.822 0.602 -1.561 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.021 1.846 -1.618 1.00 0.00 C ATOM 1987 C LEU B 32 -14.888 2.992 -1.102 1.00 0.00 C ATOM 1988 O LEU B 32 -14.588 3.609 -0.106 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.563 2.105 -3.077 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.103 2.597 -3.114 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.610 2.668 -4.569 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.018 3.984 -2.471 1.00 0.00 C ATOM 0 H LEU B 32 -15.013 0.162 -2.461 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.128 1.761 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.658 1.189 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.213 2.847 -3.541 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.474 1.900 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.577 3.017 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.667 1.678 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.236 3.360 -5.132 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.986 4.334 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.651 4.680 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.357 3.927 -1.437 1.00 0.00 H new ATOM 2004 N LYS B 33 -15.973 3.269 -1.755 1.00 0.00 N ATOM 2005 CA LYS B 33 -16.855 4.359 -1.287 1.00 0.00 C ATOM 2006 C LYS B 33 -17.318 4.069 0.149 1.00 0.00 C ATOM 2007 O LYS B 33 -17.435 4.963 0.963 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.052 4.415 -2.224 1.00 0.00 C ATOM 2009 CG LYS B 33 -18.806 5.733 -2.042 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.042 5.742 -2.962 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.244 5.125 -2.238 1.00 0.00 C ATOM 2012 NZ LYS B 33 -22.359 4.925 -3.206 1.00 0.00 N ATOM 0 H LYS B 33 -16.287 2.785 -2.596 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.328 5.313 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -17.719 4.318 -3.257 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.719 3.576 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -19.111 5.850 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.155 6.574 -2.280 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -20.274 6.764 -3.262 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -19.830 5.183 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -20.962 4.172 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -21.566 5.776 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -23.174 4.506 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -22.634 5.842 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -22.048 4.287 -3.966 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.608 2.831 0.455 1.00 0.00 N ATOM 2027 CA GLU B 34 -18.093 2.509 1.836 1.00 0.00 C ATOM 2028 C GLU B 34 -16.928 2.514 2.827 1.00 0.00 C ATOM 2029 O GLU B 34 -17.093 2.835 3.987 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.768 1.141 1.852 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.433 0.917 3.211 1.00 0.00 C ATOM 2032 CD GLU B 34 -20.231 -0.387 3.180 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -20.073 -1.133 2.227 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -20.988 -0.618 4.108 1.00 0.00 O ATOM 0 H GLU B 34 -17.532 2.036 -0.180 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.815 3.271 2.131 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.511 1.081 1.057 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -18.033 0.359 1.661 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -18.677 0.874 3.995 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -20.091 1.753 3.448 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.752 2.175 2.385 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.586 2.178 3.312 1.00 0.00 C ATOM 2043 C LEU B 35 -14.178 3.631 3.560 1.00 0.00 C ATOM 2044 O LEU B 35 -13.724 3.989 4.628 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.429 1.399 2.669 1.00 0.00 C ATOM 2046 CG LEU B 35 -12.159 1.476 3.538 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -12.383 0.759 4.872 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -11.009 0.802 2.788 1.00 0.00 C ATOM 0 H LEU B 35 -15.546 1.897 1.426 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.842 1.703 4.259 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.719 0.357 2.534 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.221 1.803 1.678 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.921 2.521 3.737 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -11.477 0.822 5.475 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -13.208 1.232 5.405 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.624 -0.288 4.687 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -10.103 0.849 3.392 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.262 -0.240 2.595 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.841 1.316 1.842 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.345 4.467 2.575 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.978 5.899 2.731 1.00 0.00 C ATOM 2062 C ILE B 36 -14.950 6.580 3.699 1.00 0.00 C ATOM 2063 O ILE B 36 -14.558 7.347 4.555 1.00 0.00 O ATOM 2064 CB ILE B 36 -14.070 6.588 1.365 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -13.126 5.878 0.339 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.715 8.072 1.531 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -11.809 6.637 0.136 1.00 0.00 C ATOM 0 H ILE B 36 -14.723 4.217 1.661 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.964 5.973 3.123 1.00 0.00 H new ATOM 0 HB ILE B 36 -15.085 6.516 0.975 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -12.910 4.868 0.686 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -13.639 5.783 -0.618 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.778 8.571 0.564 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.414 8.538 2.226 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.701 8.162 1.921 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -11.189 6.104 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -12.020 7.639 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.280 6.709 1.086 1.00 0.00 H new ATOM 2079 N ASN B 37 -16.221 6.311 3.557 1.00 0.00 N ATOM 2080 CA ASN B 37 -17.237 6.941 4.450 1.00 0.00 C ATOM 2081 C ASN B 37 -17.389 6.159 5.762 1.00 0.00 C ATOM 2082 O ASN B 37 -17.840 6.693 6.754 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.583 6.966 3.722 1.00 0.00 C ATOM 2084 CG ASN B 37 -19.659 7.540 4.647 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -19.932 6.989 5.694 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -20.286 8.631 4.300 1.00 0.00 N ATOM 0 H ASN B 37 -16.602 5.677 2.855 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.908 7.952 4.692 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.507 7.570 2.818 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.858 5.958 3.410 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -21.006 9.021 4.909 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -20.056 9.093 3.420 1.00 0.00 H new ATOM 2093 N ASN B 38 -17.084 4.887 5.772 1.00 0.00 N ATOM 2094 CA ASN B 38 -17.289 4.097 7.030 1.00 0.00 C ATOM 2095 C ASN B 38 -16.070 4.165 7.955 1.00 0.00 C ATOM 2096 O ASN B 38 -16.216 4.366 9.145 1.00 0.00 O ATOM 2097 CB ASN B 38 -17.555 2.636 6.664 1.00 0.00 C ATOM 2098 CG ASN B 38 -17.924 1.853 7.926 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -17.797 0.554 7.934 1.00 0.00 O flip ATOM 2100 ND2 ASN B 38 -18.331 2.429 8.916 1.00 0.00 N flip ATOM 0 H ASN B 38 -16.708 4.365 4.980 1.00 0.00 H new ATOM 0 HA ASN B 38 -18.138 4.527 7.561 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -18.363 2.574 5.935 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -16.671 2.200 6.198 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -18.431 3.444 8.911 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -18.573 1.897 9.752 1.00 0.00 H new ATOM 2107 N GLU B 39 -14.878 3.973 7.447 1.00 0.00 N ATOM 2108 CA GLU B 39 -13.666 3.998 8.335 1.00 0.00 C ATOM 2109 C GLU B 39 -12.898 5.310 8.161 1.00 0.00 C ATOM 2110 O GLU B 39 -12.681 6.038 9.109 1.00 0.00 O ATOM 2111 CB GLU B 39 -12.758 2.817 7.971 1.00 0.00 C ATOM 2112 CG GLU B 39 -11.709 2.598 9.071 1.00 0.00 C ATOM 2113 CD GLU B 39 -11.071 1.215 8.910 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -11.735 0.330 8.397 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -9.927 1.065 9.305 1.00 0.00 O ATOM 0 H GLU B 39 -14.688 3.800 6.460 1.00 0.00 H new ATOM 0 HA GLU B 39 -13.983 3.920 9.375 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -13.356 1.915 7.843 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -12.263 3.009 7.019 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.943 3.371 9.015 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -12.175 2.682 10.053 1.00 0.00 H new ATOM 2122 N LEU B 40 -12.480 5.620 6.967 1.00 0.00 N ATOM 2123 CA LEU B 40 -11.721 6.886 6.758 1.00 0.00 C ATOM 2124 C LEU B 40 -12.698 8.068 6.779 1.00 0.00 C ATOM 2125 O LEU B 40 -12.509 9.053 6.095 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.980 6.852 5.407 1.00 0.00 C ATOM 2127 CG LEU B 40 -10.438 5.441 5.110 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -9.873 5.422 3.683 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -9.333 5.056 6.129 1.00 0.00 C ATOM 0 H LEU B 40 -12.629 5.056 6.130 1.00 0.00 H new ATOM 0 HA LEU B 40 -10.987 6.997 7.556 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -11.656 7.161 4.610 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -10.157 7.566 5.422 1.00 0.00 H new ATOM 0 HG LEU B 40 -11.246 4.714 5.199 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -9.485 4.428 3.458 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -10.664 5.672 2.975 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -9.068 6.153 3.601 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.962 4.056 5.903 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.513 5.771 6.063 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.747 5.070 7.137 1.00 0.00 H new ATOM 2141 N SER B 41 -13.748 7.979 7.555 1.00 0.00 N ATOM 2142 CA SER B 41 -14.740 9.093 7.616 1.00 0.00 C ATOM 2143 C SER B 41 -14.303 10.141 8.653 1.00 0.00 C ATOM 2144 O SER B 41 -14.795 11.252 8.659 1.00 0.00 O ATOM 2145 CB SER B 41 -16.119 8.509 7.998 1.00 0.00 C ATOM 2146 OG SER B 41 -15.997 7.101 8.141 1.00 0.00 O ATOM 0 H SER B 41 -13.961 7.179 8.151 1.00 0.00 H new ATOM 0 HA SER B 41 -14.802 9.582 6.644 1.00 0.00 H new ATOM 0 HB2 SER B 41 -16.472 8.953 8.928 1.00 0.00 H new ATOM 0 HB3 SER B 41 -16.856 8.748 7.231 1.00 0.00 H new ATOM 0 HG SER B 41 -16.880 6.685 8.049 1.00 0.00 H new ATOM 2152 N HIS B 42 -13.395 9.803 9.535 1.00 0.00 N ATOM 2153 CA HIS B 42 -12.945 10.787 10.572 1.00 0.00 C ATOM 2154 C HIS B 42 -11.613 11.411 10.152 1.00 0.00 C ATOM 2155 O HIS B 42 -11.237 12.464 10.626 1.00 0.00 O ATOM 2156 CB HIS B 42 -12.757 10.060 11.907 1.00 0.00 C ATOM 2157 CG HIS B 42 -14.041 9.381 12.298 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -15.173 10.093 12.671 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -14.387 8.054 12.383 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -16.136 9.199 12.961 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -15.708 7.946 12.801 1.00 0.00 N ATOM 0 H HIS B 42 -12.945 8.889 9.583 1.00 0.00 H new ATOM 0 HA HIS B 42 -13.696 11.570 10.675 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -11.956 9.325 11.823 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -12.459 10.769 12.680 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -13.734 7.224 12.160 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -17.132 9.463 13.283 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -16.239 7.088 12.953 1.00 0.00 H new ATOM 2170 N PHE B 43 -10.891 10.762 9.272 1.00 0.00 N ATOM 2171 CA PHE B 43 -9.568 11.300 8.816 1.00 0.00 C ATOM 2172 C PHE B 43 -9.696 11.817 7.385 1.00 0.00 C ATOM 2173 O PHE B 43 -9.261 12.907 7.070 1.00 0.00 O ATOM 2174 CB PHE B 43 -8.527 10.164 8.885 1.00 0.00 C ATOM 2175 CG PHE B 43 -7.148 10.723 9.161 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -6.813 11.145 10.454 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -6.206 10.814 8.130 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -5.538 11.657 10.716 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -4.930 11.327 8.392 1.00 0.00 C ATOM 2180 CZ PHE B 43 -4.595 11.749 9.685 1.00 0.00 C ATOM 0 H PHE B 43 -11.162 9.876 8.846 1.00 0.00 H new ATOM 0 HA PHE B 43 -9.251 12.123 9.456 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.803 9.458 9.668 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -8.520 9.612 7.945 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -7.540 11.075 11.250 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.463 10.489 7.133 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -5.281 11.981 11.714 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.203 11.397 7.596 1.00 0.00 H new ATOM 0 HZ PHE B 43 -3.611 12.145 9.886 1.00 0.00 H new ATOM 2190 N LEU B 44 -10.292 11.046 6.518 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.458 11.489 5.103 1.00 0.00 C ATOM 2192 C LEU B 44 -11.877 12.026 4.918 1.00 0.00 C ATOM 2193 O LEU B 44 -12.830 11.481 5.439 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.226 10.291 4.176 1.00 0.00 C ATOM 2195 CG LEU B 44 -10.470 10.676 2.709 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -9.605 11.885 2.319 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -10.112 9.481 1.816 1.00 0.00 C ATOM 0 H LEU B 44 -10.673 10.124 6.729 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.740 12.273 4.863 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.206 9.926 4.295 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -10.891 9.475 4.457 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.519 10.943 2.578 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.791 12.144 1.277 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.858 12.734 2.954 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.552 11.636 2.449 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.282 9.743 0.772 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.063 9.221 1.959 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.737 8.628 2.082 1.00 0.00 H new ATOM 2209 N GLU B 45 -12.025 13.098 4.194 1.00 0.00 N ATOM 2210 CA GLU B 45 -13.383 13.681 3.989 1.00 0.00 C ATOM 2211 C GLU B 45 -14.366 12.572 3.605 1.00 0.00 C ATOM 2212 O GLU B 45 -14.120 11.786 2.713 1.00 0.00 O ATOM 2213 CB GLU B 45 -13.328 14.719 2.865 1.00 0.00 C ATOM 2214 CG GLU B 45 -12.308 15.803 3.217 1.00 0.00 C ATOM 2215 CD GLU B 45 -12.827 16.631 4.393 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -13.740 17.413 4.184 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -12.303 16.470 5.483 1.00 0.00 O ATOM 0 H GLU B 45 -11.265 13.598 3.734 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.714 14.157 4.912 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -13.054 14.239 1.926 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -14.312 15.165 2.720 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -11.352 15.347 3.474 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -12.133 16.446 2.355 1.00 0.00 H new ATOM 2224 N GLU B 46 -15.475 12.502 4.291 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.482 11.443 3.995 1.00 0.00 C ATOM 2226 C GLU B 46 -16.943 11.543 2.537 1.00 0.00 C ATOM 2227 O GLU B 46 -17.771 12.364 2.195 1.00 0.00 O ATOM 2228 CB GLU B 46 -17.694 11.609 4.926 1.00 0.00 C ATOM 2229 CG GLU B 46 -17.228 11.967 6.350 1.00 0.00 C ATOM 2230 CD GLU B 46 -17.028 13.482 6.475 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -18.001 14.167 6.742 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -15.907 13.928 6.301 1.00 0.00 O ATOM 0 H GLU B 46 -15.728 13.137 5.048 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.025 10.467 4.158 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -18.351 12.390 4.544 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -18.274 10.687 4.947 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -17.965 11.629 7.078 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -16.296 11.450 6.577 1.00 0.00 H new ATOM 2239 N ILE B 47 -16.426 10.707 1.678 1.00 0.00 N ATOM 2240 CA ILE B 47 -16.856 10.755 0.253 1.00 0.00 C ATOM 2241 C ILE B 47 -18.336 10.358 0.177 1.00 0.00 C ATOM 2242 O ILE B 47 -18.724 9.295 0.620 1.00 0.00 O ATOM 2243 CB ILE B 47 -15.985 9.784 -0.584 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -14.657 10.484 -0.946 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -16.720 9.362 -1.871 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -13.746 9.565 -1.783 1.00 0.00 C ATOM 0 H ILE B 47 -15.728 9.997 1.900 1.00 0.00 H new ATOM 0 HA ILE B 47 -16.731 11.760 -0.149 1.00 0.00 H new ATOM 0 HB ILE B 47 -15.786 8.888 0.004 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -14.866 11.397 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -14.139 10.779 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -16.090 8.681 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -17.652 8.861 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -16.938 10.245 -2.472 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -12.820 10.089 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -13.517 8.664 -1.214 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -14.255 9.292 -2.707 1.00 0.00 H new ATOM 2258 N LYS B 48 -19.155 11.200 -0.400 1.00 0.00 N ATOM 2259 CA LYS B 48 -20.612 10.887 -0.537 1.00 0.00 C ATOM 2260 C LYS B 48 -20.925 10.699 -2.020 1.00 0.00 C ATOM 2261 O LYS B 48 -21.893 10.065 -2.391 1.00 0.00 O ATOM 2262 CB LYS B 48 -21.444 12.046 0.022 1.00 0.00 C ATOM 2263 CG LYS B 48 -21.208 12.172 1.534 1.00 0.00 C ATOM 2264 CD LYS B 48 -22.353 12.960 2.175 1.00 0.00 C ATOM 2265 CE LYS B 48 -22.487 14.324 1.496 1.00 0.00 C ATOM 2266 NZ LYS B 48 -23.321 15.222 2.345 1.00 0.00 N ATOM 0 H LYS B 48 -18.874 12.101 -0.787 1.00 0.00 H new ATOM 0 HA LYS B 48 -20.855 9.980 0.017 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -21.171 12.976 -0.477 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -22.502 11.876 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -21.140 11.182 1.984 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -20.259 12.674 1.722 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -23.286 12.404 2.082 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -22.165 13.091 3.241 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -21.502 14.764 1.342 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -22.943 14.209 0.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -23.412 16.150 1.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -24.265 14.803 2.471 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -22.868 15.340 3.274 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.097 11.245 -2.872 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.314 11.105 -4.343 1.00 0.00 C ATOM 2282 C GLU B 49 -19.447 9.958 -4.865 1.00 0.00 C ATOM 2283 O GLU B 49 -18.395 9.672 -4.329 1.00 0.00 O ATOM 2284 CB GLU B 49 -19.911 12.409 -5.041 1.00 0.00 C ATOM 2285 CG GLU B 49 -20.475 12.431 -6.465 1.00 0.00 C ATOM 2286 CD GLU B 49 -21.967 12.774 -6.422 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -22.763 11.855 -6.327 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -22.286 13.950 -6.485 1.00 0.00 O ATOM 0 H GLU B 49 -19.273 11.786 -2.610 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.364 10.895 -4.546 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -20.286 13.264 -4.478 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -18.825 12.497 -5.069 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -19.940 13.165 -7.067 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -20.328 11.461 -6.940 1.00 0.00 H new ATOM 2295 N GLN B 50 -19.876 9.297 -5.905 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.073 8.165 -6.461 1.00 0.00 C ATOM 2297 C GLN B 50 -18.161 8.684 -7.575 1.00 0.00 C ATOM 2298 O GLN B 50 -17.114 8.129 -7.842 1.00 0.00 O ATOM 2299 CB GLN B 50 -20.020 7.108 -7.035 1.00 0.00 C ATOM 2300 CG GLN B 50 -19.205 5.932 -7.575 1.00 0.00 C ATOM 2301 CD GLN B 50 -20.145 4.789 -7.959 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -21.036 4.966 -8.765 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -19.982 3.614 -7.412 1.00 0.00 N ATOM 0 H GLN B 50 -20.749 9.490 -6.396 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.467 7.725 -5.669 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -20.708 6.763 -6.263 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -20.625 7.541 -7.831 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -18.625 6.246 -8.443 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -18.493 5.594 -6.822 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -19.233 3.466 -6.735 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -20.603 2.845 -7.662 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.560 9.735 -8.235 1.00 0.00 N ATOM 2313 CA GLU B 51 -17.736 10.285 -9.344 1.00 0.00 C ATOM 2314 C GLU B 51 -16.301 10.506 -8.880 1.00 0.00 C ATOM 2315 O GLU B 51 -15.373 10.412 -9.659 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.336 11.611 -9.817 1.00 0.00 C ATOM 2317 CG GLU B 51 -17.496 12.172 -10.965 1.00 0.00 C ATOM 2318 CD GLU B 51 -18.233 13.349 -11.607 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -19.137 13.873 -10.976 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -17.881 13.708 -12.719 1.00 0.00 O ATOM 0 H GLU B 51 -19.428 10.239 -8.052 1.00 0.00 H new ATOM 0 HA GLU B 51 -17.731 9.572 -10.168 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -19.364 11.460 -10.145 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -18.366 12.323 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -16.524 12.496 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -17.311 11.396 -11.708 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.092 10.782 -7.625 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.695 10.980 -7.157 1.00 0.00 C ATOM 2329 C VAL B 52 -14.033 9.619 -7.067 1.00 0.00 C ATOM 2330 O VAL B 52 -12.878 9.453 -7.404 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.681 11.680 -5.795 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -15.579 10.924 -4.814 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -13.250 11.715 -5.253 1.00 0.00 C ATOM 0 H VAL B 52 -16.816 10.878 -6.913 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.150 11.613 -7.857 1.00 0.00 H new ATOM 0 HB VAL B 52 -15.053 12.698 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -15.565 11.426 -3.847 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -16.599 10.902 -5.197 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -15.213 9.904 -4.698 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -13.240 12.213 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -12.878 10.696 -5.141 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -12.611 12.260 -5.948 1.00 0.00 H new ATOM 2343 N VAL B 53 -14.767 8.631 -6.659 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.182 7.274 -6.602 1.00 0.00 C ATOM 2345 C VAL B 53 -13.934 6.866 -8.054 1.00 0.00 C ATOM 2346 O VAL B 53 -13.084 6.056 -8.354 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.147 6.310 -5.848 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -15.761 5.262 -6.787 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.390 5.580 -4.732 1.00 0.00 C ATOM 0 H VAL B 53 -15.741 8.704 -6.364 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.245 7.239 -6.047 1.00 0.00 H new ATOM 0 HB VAL B 53 -15.951 6.919 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -16.427 4.611 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.326 5.764 -7.572 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -14.967 4.666 -7.236 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.071 4.908 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -13.572 5.004 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -13.988 6.309 -4.028 1.00 0.00 H new ATOM 2359 N ASP B 54 -14.662 7.460 -8.961 1.00 0.00 N ATOM 2360 CA ASP B 54 -14.447 7.144 -10.395 1.00 0.00 C ATOM 2361 C ASP B 54 -13.168 7.854 -10.820 1.00 0.00 C ATOM 2362 O ASP B 54 -12.402 7.366 -11.627 1.00 0.00 O ATOM 2363 CB ASP B 54 -15.627 7.649 -11.229 1.00 0.00 C ATOM 2364 CG ASP B 54 -15.530 7.077 -12.645 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -14.568 6.376 -12.914 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -16.419 7.349 -13.435 1.00 0.00 O ATOM 0 H ASP B 54 -15.392 8.146 -8.769 1.00 0.00 H new ATOM 0 HA ASP B 54 -14.366 6.068 -10.547 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.568 7.349 -10.767 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -15.622 8.738 -11.264 1.00 0.00 H new ATOM 2371 N LYS B 55 -12.928 9.007 -10.253 1.00 0.00 N ATOM 2372 CA LYS B 55 -11.690 9.763 -10.585 1.00 0.00 C ATOM 2373 C LYS B 55 -10.512 9.134 -9.832 1.00 0.00 C ATOM 2374 O LYS B 55 -9.485 8.838 -10.406 1.00 0.00 O ATOM 2375 CB LYS B 55 -11.860 11.232 -10.168 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.505 11.984 -10.240 1.00 0.00 C ATOM 2377 CD LYS B 55 -9.893 12.121 -8.835 1.00 0.00 C ATOM 2378 CE LYS B 55 -8.389 12.380 -8.944 1.00 0.00 C ATOM 2379 NZ LYS B 55 -7.872 12.858 -7.631 1.00 0.00 N ATOM 0 H LYS B 55 -13.540 9.457 -9.572 1.00 0.00 H new ATOM 0 HA LYS B 55 -11.500 9.722 -11.658 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.586 11.718 -10.819 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.257 11.284 -9.154 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.817 11.446 -10.892 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -10.652 12.971 -10.677 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.373 12.939 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -10.074 11.213 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -7.872 11.467 -9.240 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -8.192 13.123 -9.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -6.850 13.034 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.357 13.739 -7.367 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -8.048 12.135 -6.905 1.00 0.00 H new ATOM 2393 N VAL B 56 -10.659 8.914 -8.549 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.546 8.288 -7.774 1.00 0.00 C ATOM 2395 C VAL B 56 -9.143 6.996 -8.489 1.00 0.00 C ATOM 2396 O VAL B 56 -7.979 6.676 -8.617 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.007 8.017 -6.313 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.565 6.596 -6.147 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.824 8.192 -5.352 1.00 0.00 C ATOM 0 H VAL B 56 -11.495 9.139 -8.009 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.683 8.952 -7.722 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.797 8.732 -6.083 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -10.876 6.446 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.422 6.462 -6.807 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -9.793 5.870 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.154 8.001 -4.331 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.034 7.489 -5.616 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.443 9.211 -5.426 1.00 0.00 H new ATOM 2409 N MET B 57 -10.109 6.264 -8.971 1.00 0.00 N ATOM 2410 CA MET B 57 -9.800 5.004 -9.695 1.00 0.00 C ATOM 2411 C MET B 57 -9.022 5.342 -10.966 1.00 0.00 C ATOM 2412 O MET B 57 -8.237 4.554 -11.454 1.00 0.00 O ATOM 2413 CB MET B 57 -11.106 4.295 -10.061 1.00 0.00 C ATOM 2414 CG MET B 57 -11.711 3.649 -8.811 1.00 0.00 C ATOM 2415 SD MET B 57 -10.869 2.078 -8.481 1.00 0.00 S ATOM 2416 CE MET B 57 -12.340 1.036 -8.318 1.00 0.00 C ATOM 0 H MET B 57 -11.101 6.487 -8.893 1.00 0.00 H new ATOM 0 HA MET B 57 -9.202 4.348 -9.063 1.00 0.00 H new ATOM 0 HB2 MET B 57 -11.810 5.008 -10.491 1.00 0.00 H new ATOM 0 HB3 MET B 57 -10.918 3.535 -10.820 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.607 4.317 -7.956 1.00 0.00 H new ATOM 0 HG3 MET B 57 -12.778 3.480 -8.955 1.00 0.00 H new ATOM 0 HE1 MET B 57 -12.047 -0.014 -8.341 1.00 0.00 H new ATOM 0 HE2 MET B 57 -12.837 1.254 -7.373 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.023 1.240 -9.143 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.224 6.515 -11.501 1.00 0.00 N ATOM 2427 CA GLU B 58 -8.483 6.906 -12.732 1.00 0.00 C ATOM 2428 C GLU B 58 -7.002 7.017 -12.394 1.00 0.00 C ATOM 2429 O GLU B 58 -6.144 6.664 -13.179 1.00 0.00 O ATOM 2430 CB GLU B 58 -8.994 8.257 -13.237 1.00 0.00 C ATOM 2431 CG GLU B 58 -8.486 8.495 -14.661 1.00 0.00 C ATOM 2432 CD GLU B 58 -8.692 9.963 -15.038 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -9.392 10.649 -14.312 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -8.147 10.377 -16.049 1.00 0.00 O ATOM 0 H GLU B 58 -9.869 7.218 -11.139 1.00 0.00 H new ATOM 0 HA GLU B 58 -8.635 6.157 -13.509 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.084 8.275 -13.221 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.652 9.056 -12.579 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -7.429 8.236 -14.730 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -9.018 7.851 -15.361 1.00 0.00 H new ATOM 2441 N THR B 59 -6.698 7.501 -11.223 1.00 0.00 N ATOM 2442 CA THR B 59 -5.273 7.629 -10.820 1.00 0.00 C ATOM 2443 C THR B 59 -4.785 6.296 -10.263 1.00 0.00 C ATOM 2444 O THR B 59 -3.613 5.981 -10.333 1.00 0.00 O ATOM 2445 CB THR B 59 -5.134 8.703 -9.742 1.00 0.00 C ATOM 2446 OG1 THR B 59 -5.662 9.931 -10.225 1.00 0.00 O ATOM 2447 CG2 THR B 59 -3.654 8.878 -9.399 1.00 0.00 C ATOM 0 H THR B 59 -7.376 7.813 -10.528 1.00 0.00 H new ATOM 0 HA THR B 59 -4.678 7.909 -11.689 1.00 0.00 H new ATOM 0 HB THR B 59 -5.683 8.403 -8.849 1.00 0.00 H new ATOM 0 HG1 THR B 59 -5.574 10.619 -9.533 1.00 0.00 H new ATOM 0 HG21 THR B 59 -3.547 9.643 -8.630 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.252 7.934 -9.030 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.107 9.182 -10.292 1.00 0.00 H new ATOM 2455 N LEU B 60 -5.667 5.512 -9.692 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.233 4.201 -9.111 1.00 0.00 C ATOM 2457 C LEU B 60 -5.435 3.062 -10.116 1.00 0.00 C ATOM 2458 O LEU B 60 -4.544 2.261 -10.314 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.031 3.905 -7.831 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.342 4.537 -6.610 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -3.981 3.849 -6.323 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.129 6.036 -6.861 1.00 0.00 C ATOM 0 H LEU B 60 -6.662 5.720 -9.603 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.172 4.270 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.044 4.296 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.118 2.828 -7.690 1.00 0.00 H new ATOM 0 HG LEU B 60 -5.982 4.399 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.514 4.314 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.144 2.790 -6.123 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.328 3.959 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.641 6.484 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.502 6.172 -7.742 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.093 6.518 -7.024 1.00 0.00 H new ATOM 2474 N ASP B 61 -6.568 2.952 -10.760 1.00 0.00 N ATOM 2475 CA ASP B 61 -6.746 1.837 -11.735 1.00 0.00 C ATOM 2476 C ASP B 61 -5.658 1.908 -12.794 1.00 0.00 C ATOM 2477 O ASP B 61 -5.816 2.515 -13.835 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.118 1.961 -12.397 1.00 0.00 C ATOM 2479 CG ASP B 61 -8.440 0.672 -13.154 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -7.590 -0.203 -13.183 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -9.531 0.581 -13.692 1.00 0.00 O ATOM 0 H ASP B 61 -7.367 3.577 -10.655 1.00 0.00 H new ATOM 0 HA ASP B 61 -6.678 0.881 -11.215 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -8.881 2.152 -11.643 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.127 2.809 -13.082 1.00 0.00 H new ATOM 2486 N GLU B 62 -4.554 1.278 -12.530 1.00 0.00 N ATOM 2487 CA GLU B 62 -3.432 1.283 -13.509 1.00 0.00 C ATOM 2488 C GLU B 62 -3.587 0.076 -14.423 1.00 0.00 C ATOM 2489 O GLU B 62 -3.221 0.107 -15.581 1.00 0.00 O ATOM 2490 CB GLU B 62 -2.092 1.221 -12.768 1.00 0.00 C ATOM 2491 CG GLU B 62 -0.943 1.501 -13.745 1.00 0.00 C ATOM 2492 CD GLU B 62 -1.023 2.947 -14.243 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -0.908 3.843 -13.424 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -1.197 3.131 -15.437 1.00 0.00 O ATOM 0 H GLU B 62 -4.376 0.755 -11.673 1.00 0.00 H new ATOM 0 HA GLU B 62 -3.453 2.199 -14.100 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.079 1.951 -11.959 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -1.963 0.239 -12.313 1.00 0.00 H new ATOM 0 HG2 GLU B 62 0.014 1.329 -13.253 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -0.996 0.813 -14.589 1.00 0.00 H new ATOM 2501 N ASP B 63 -4.157 -0.981 -13.919 1.00 0.00 N ATOM 2502 CA ASP B 63 -4.369 -2.178 -14.768 1.00 0.00 C ATOM 2503 C ASP B 63 -5.647 -1.952 -15.569 1.00 0.00 C ATOM 2504 O ASP B 63 -6.011 -2.739 -16.420 1.00 0.00 O ATOM 2505 CB ASP B 63 -4.523 -3.419 -13.885 1.00 0.00 C ATOM 2506 CG ASP B 63 -5.678 -3.209 -12.904 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -6.229 -2.119 -12.892 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -5.993 -4.139 -12.182 1.00 0.00 O ATOM 0 H ASP B 63 -4.484 -1.065 -12.957 1.00 0.00 H new ATOM 0 HA ASP B 63 -3.520 -2.333 -15.434 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -4.712 -4.297 -14.503 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -3.598 -3.607 -13.339 1.00 0.00 H new ATOM 2513 N GLY B 64 -6.332 -0.869 -15.299 1.00 0.00 N ATOM 2514 CA GLY B 64 -7.586 -0.581 -16.044 1.00 0.00 C ATOM 2515 C GLY B 64 -8.580 -1.706 -15.792 1.00 0.00 C ATOM 2516 O GLY B 64 -9.207 -2.209 -16.704 1.00 0.00 O ATOM 0 H GLY B 64 -6.074 -0.176 -14.596 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -8.006 0.372 -15.721 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -7.379 -0.493 -17.111 1.00 0.00 H new ATOM 2520 N ASP B 65 -8.726 -2.114 -14.556 1.00 0.00 N ATOM 2521 CA ASP B 65 -9.680 -3.219 -14.235 1.00 0.00 C ATOM 2522 C ASP B 65 -10.942 -2.632 -13.614 1.00 0.00 C ATOM 2523 O ASP B 65 -11.904 -3.331 -13.365 1.00 0.00 O ATOM 2524 CB ASP B 65 -9.025 -4.179 -13.238 1.00 0.00 C ATOM 2525 CG ASP B 65 -8.614 -3.410 -11.981 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -8.592 -2.191 -12.037 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -8.329 -4.053 -10.985 1.00 0.00 O ATOM 0 H ASP B 65 -8.225 -1.729 -13.755 1.00 0.00 H new ATOM 0 HA ASP B 65 -9.937 -3.757 -15.147 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -9.719 -4.978 -12.977 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -8.152 -4.650 -13.690 1.00 0.00 H new ATOM 2532 N GLY B 66 -10.950 -1.354 -13.353 1.00 0.00 N ATOM 2533 CA GLY B 66 -12.162 -0.742 -12.737 1.00 0.00 C ATOM 2534 C GLY B 66 -12.277 -1.240 -11.302 1.00 0.00 C ATOM 2535 O GLY B 66 -13.120 -0.808 -10.542 1.00 0.00 O ATOM 0 H GLY B 66 -10.179 -0.712 -13.537 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -12.089 0.345 -12.756 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -13.053 -1.012 -13.304 1.00 0.00 H new ATOM 2539 N GLU B 67 -11.409 -2.141 -10.931 1.00 0.00 N ATOM 2540 CA GLU B 67 -11.400 -2.692 -9.546 1.00 0.00 C ATOM 2541 C GLU B 67 -10.017 -2.420 -8.968 1.00 0.00 C ATOM 2542 O GLU B 67 -9.126 -2.003 -9.681 1.00 0.00 O ATOM 2543 CB GLU B 67 -11.655 -4.204 -9.585 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.151 -4.471 -9.766 1.00 0.00 C ATOM 2545 CD GLU B 67 -13.422 -5.971 -9.634 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -12.689 -6.623 -8.909 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -14.358 -6.441 -10.258 1.00 0.00 O ATOM 0 H GLU B 67 -10.690 -2.527 -11.543 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.178 -2.229 -8.938 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.094 -4.656 -10.403 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -11.302 -4.666 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -13.722 -3.920 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.479 -4.116 -10.743 1.00 0.00 H new ATOM 2554 N CYS B 68 -9.820 -2.641 -7.695 1.00 0.00 N ATOM 2555 CA CYS B 68 -8.478 -2.379 -7.086 1.00 0.00 C ATOM 2556 C CYS B 68 -7.992 -3.618 -6.333 1.00 0.00 C ATOM 2557 O CYS B 68 -8.337 -3.837 -5.185 1.00 0.00 O ATOM 2558 CB CYS B 68 -8.578 -1.195 -6.121 1.00 0.00 C ATOM 2559 SG CYS B 68 -8.672 0.346 -7.067 1.00 0.00 S ATOM 0 H CYS B 68 -10.528 -2.991 -7.049 1.00 0.00 H new ATOM 0 HA CYS B 68 -7.766 -2.145 -7.877 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -9.459 -1.301 -5.489 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -7.712 -1.176 -5.460 1.00 0.00 H new ATOM 0 HG CYS B 68 -7.837 0.296 -8.062 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.209 -4.438 -6.988 1.00 0.00 N ATOM 2566 CA ASP B 69 -6.687 -5.671 -6.333 1.00 0.00 C ATOM 2567 C ASP B 69 -6.074 -5.292 -4.982 1.00 0.00 C ATOM 2568 O ASP B 69 -6.159 -4.162 -4.549 1.00 0.00 O ATOM 2569 CB ASP B 69 -5.615 -6.311 -7.222 1.00 0.00 C ATOM 2570 CG ASP B 69 -6.081 -6.310 -8.681 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -6.524 -5.271 -9.142 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -5.983 -7.349 -9.313 1.00 0.00 O ATOM 0 H ASP B 69 -6.909 -4.303 -7.953 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.499 -6.383 -6.184 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -4.678 -5.762 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -5.420 -7.332 -6.894 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.443 -6.208 -4.309 1.00 0.00 N ATOM 2578 CA PHE B 70 -4.837 -5.868 -2.994 1.00 0.00 C ATOM 2579 C PHE B 70 -3.632 -4.941 -3.187 1.00 0.00 C ATOM 2580 O PHE B 70 -3.313 -4.144 -2.328 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.388 -7.161 -2.300 1.00 0.00 C ATOM 2582 CG PHE B 70 -3.864 -8.137 -3.332 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -2.596 -7.951 -3.893 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -4.650 -9.225 -3.727 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -2.114 -8.850 -4.850 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -4.168 -10.126 -4.684 1.00 0.00 C ATOM 2587 CZ PHE B 70 -2.900 -9.938 -5.248 1.00 0.00 C ATOM 0 H PHE B 70 -5.320 -7.175 -4.610 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.576 -5.354 -2.380 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.613 -6.941 -1.566 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.224 -7.604 -1.758 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -1.989 -7.112 -3.587 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -5.629 -9.370 -3.294 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -1.135 -8.705 -5.282 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -4.774 -10.967 -4.988 1.00 0.00 H new ATOM 0 HZ PHE B 70 -2.529 -10.631 -5.989 1.00 0.00 H new ATOM 2597 N GLN B 71 -2.942 -5.054 -4.287 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.746 -4.195 -4.498 1.00 0.00 C ATOM 2599 C GLN B 71 -2.165 -2.779 -4.900 1.00 0.00 C ATOM 2600 O GLN B 71 -1.475 -1.816 -4.620 1.00 0.00 O ATOM 2601 CB GLN B 71 -0.840 -4.812 -5.580 1.00 0.00 C ATOM 2602 CG GLN B 71 -1.690 -5.442 -6.696 1.00 0.00 C ATOM 2603 CD GLN B 71 -0.869 -5.546 -7.984 1.00 0.00 C ATOM 2604 OE1 GLN B 71 0.159 -6.194 -8.015 1.00 0.00 O ATOM 2605 NE2 GLN B 71 -1.284 -4.933 -9.059 1.00 0.00 N ATOM 0 H GLN B 71 -3.154 -5.702 -5.046 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.190 -4.135 -3.563 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -0.189 -4.045 -5.999 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -0.195 -5.569 -5.135 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -2.030 -6.432 -6.391 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -2.581 -4.839 -6.871 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -2.146 -4.389 -9.035 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -0.746 -4.998 -9.923 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.286 -2.627 -5.546 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.725 -1.263 -5.959 1.00 0.00 C ATOM 2616 C GLU B 72 -4.606 -0.645 -4.870 1.00 0.00 C ATOM 2617 O GLU B 72 -4.477 0.518 -4.544 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.488 -1.387 -7.277 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.123 -0.046 -7.655 1.00 0.00 C ATOM 2620 CD GLU B 72 -5.718 -0.150 -9.057 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -4.950 -0.165 -10.006 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -6.932 -0.217 -9.161 1.00 0.00 O ATOM 0 H GLU B 72 -3.917 -3.385 -5.806 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.864 -0.609 -6.098 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.811 -1.711 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -5.261 -2.150 -7.186 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.899 0.218 -6.936 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -4.375 0.746 -7.622 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.490 -1.405 -4.292 1.00 0.00 N ATOM 2630 CA PHE B 73 -6.353 -0.840 -3.215 1.00 0.00 C ATOM 2631 C PHE B 73 -5.447 -0.338 -2.083 1.00 0.00 C ATOM 2632 O PHE B 73 -5.685 0.696 -1.488 1.00 0.00 O ATOM 2633 CB PHE B 73 -7.311 -1.933 -2.699 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.767 -1.622 -1.287 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -8.196 -0.331 -0.959 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.748 -2.623 -0.310 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.608 -0.042 0.347 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -8.158 -2.334 0.996 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.588 -1.044 1.325 1.00 0.00 C ATOM 0 H PHE B 73 -5.654 -2.387 -4.515 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.950 -0.012 -3.596 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -8.176 -2.006 -3.358 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.811 -2.901 -2.720 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -8.209 0.442 -1.713 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -7.417 -3.619 -0.564 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.941 0.954 0.600 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -8.143 -3.107 1.750 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.905 -0.821 2.333 1.00 0.00 H new ATOM 2649 N MET B 74 -4.405 -1.059 -1.786 1.00 0.00 N ATOM 2650 CA MET B 74 -3.488 -0.615 -0.704 1.00 0.00 C ATOM 2651 C MET B 74 -2.631 0.522 -1.237 1.00 0.00 C ATOM 2652 O MET B 74 -2.057 1.290 -0.491 1.00 0.00 O ATOM 2653 CB MET B 74 -2.605 -1.777 -0.241 1.00 0.00 C ATOM 2654 CG MET B 74 -1.689 -1.316 0.912 1.00 0.00 C ATOM 2655 SD MET B 74 -1.420 -2.689 2.064 1.00 0.00 S ATOM 2656 CE MET B 74 0.180 -2.135 2.705 1.00 0.00 C ATOM 0 H MET B 74 -4.149 -1.934 -2.244 1.00 0.00 H new ATOM 0 HA MET B 74 -4.067 -0.273 0.154 1.00 0.00 H new ATOM 0 HB2 MET B 74 -3.227 -2.609 0.088 1.00 0.00 H new ATOM 0 HB3 MET B 74 -2.002 -2.140 -1.073 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.735 -0.969 0.515 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.142 -0.473 1.435 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.566 -2.874 3.407 1.00 0.00 H new ATOM 0 HE2 MET B 74 0.882 -2.017 1.879 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.056 -1.180 3.215 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.597 0.674 -2.528 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.838 1.812 -3.099 1.00 0.00 C ATOM 2668 C ALA B 75 -2.636 3.079 -2.796 1.00 0.00 C ATOM 2669 O ALA B 75 -2.103 4.168 -2.742 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.671 1.639 -4.610 1.00 0.00 C ATOM 0 H ALA B 75 -3.057 0.066 -3.205 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.840 1.867 -2.663 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.112 2.483 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -1.130 0.715 -4.813 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.653 1.596 -5.082 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.923 2.936 -2.594 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.763 4.129 -2.289 1.00 0.00 C ATOM 2678 C PHE B 76 -4.505 4.575 -0.849 1.00 0.00 C ATOM 2679 O PHE B 76 -4.372 5.751 -0.579 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.253 3.793 -2.484 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.110 4.827 -1.777 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.361 6.066 -2.380 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -7.635 4.546 -0.509 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.138 7.022 -1.715 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -8.409 5.502 0.155 1.00 0.00 C ATOM 2686 CZ PHE B 76 -8.662 6.740 -0.447 1.00 0.00 C ATOM 0 H PHE B 76 -4.424 2.048 -2.627 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.501 4.939 -2.969 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.494 3.772 -3.547 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.466 2.800 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.956 6.284 -3.357 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -7.442 3.590 -0.044 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.333 7.977 -2.180 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -8.812 5.285 1.133 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.261 7.478 0.066 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.407 3.663 0.081 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.130 4.101 1.479 1.00 0.00 C ATOM 2698 C VAL B 77 -2.819 4.872 1.470 1.00 0.00 C ATOM 2699 O VAL B 77 -2.660 5.882 2.126 1.00 0.00 O ATOM 2700 CB VAL B 77 -3.981 2.893 2.402 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.634 3.383 3.806 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.293 2.122 2.460 1.00 0.00 C ATOM 0 H VAL B 77 -4.504 2.658 -0.061 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.954 4.716 1.840 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.194 2.242 2.022 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.525 2.528 4.473 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.698 3.941 3.776 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.431 4.030 4.173 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.181 1.262 3.120 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.080 2.772 2.842 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.559 1.780 1.460 1.00 0.00 H new ATOM 2712 N SER B 78 -1.887 4.392 0.706 1.00 0.00 N ATOM 2713 CA SER B 78 -0.573 5.061 0.599 1.00 0.00 C ATOM 2714 C SER B 78 -0.780 6.442 -0.010 1.00 0.00 C ATOM 2715 O SER B 78 -0.155 7.409 0.372 1.00 0.00 O ATOM 2716 CB SER B 78 0.307 4.239 -0.324 1.00 0.00 C ATOM 2717 OG SER B 78 -0.041 4.544 -1.660 1.00 0.00 O ATOM 0 H SER B 78 -1.984 3.548 0.141 1.00 0.00 H new ATOM 0 HA SER B 78 -0.107 5.153 1.580 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.358 4.464 -0.145 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.171 3.175 -0.130 1.00 0.00 H new ATOM 0 HG SER B 78 -0.994 4.361 -1.800 1.00 0.00 H new ATOM 2723 N MET B 79 -1.678 6.536 -0.949 1.00 0.00 N ATOM 2724 CA MET B 79 -1.964 7.846 -1.589 1.00 0.00 C ATOM 2725 C MET B 79 -2.638 8.740 -0.556 1.00 0.00 C ATOM 2726 O MET B 79 -2.540 9.951 -0.596 1.00 0.00 O ATOM 2727 CB MET B 79 -2.886 7.642 -2.800 1.00 0.00 C ATOM 2728 CG MET B 79 -3.041 8.956 -3.592 1.00 0.00 C ATOM 2729 SD MET B 79 -3.309 8.570 -5.347 1.00 0.00 S ATOM 2730 CE MET B 79 -4.937 9.341 -5.541 1.00 0.00 C ATOM 0 H MET B 79 -2.230 5.754 -1.302 1.00 0.00 H new ATOM 0 HA MET B 79 -1.041 8.310 -1.937 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.478 6.867 -3.448 1.00 0.00 H new ATOM 0 HB3 MET B 79 -3.864 7.295 -2.465 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.880 9.532 -3.202 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.149 9.572 -3.475 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.281 9.211 -6.567 1.00 0.00 H new ATOM 0 HE2 MET B 79 -5.645 8.872 -4.858 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.865 10.405 -5.315 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.287 8.137 0.400 1.00 0.00 N ATOM 2741 CA VAL B 80 -3.931 8.918 1.478 1.00 0.00 C ATOM 2742 C VAL B 80 -2.839 9.198 2.478 1.00 0.00 C ATOM 2743 O VAL B 80 -2.746 10.267 3.049 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.038 8.100 2.155 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -5.544 8.854 3.387 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -6.204 7.883 1.190 1.00 0.00 C ATOM 0 H VAL B 80 -3.397 7.126 0.476 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.387 9.828 1.087 1.00 0.00 H new ATOM 0 HB VAL B 80 -4.631 7.132 2.448 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -6.331 8.275 3.870 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.721 9.002 4.086 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.941 9.823 3.083 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.982 7.301 1.684 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -6.610 8.848 0.887 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -5.852 7.345 0.310 1.00 0.00 H new ATOM 2756 N THR B 81 -1.984 8.235 2.670 1.00 0.00 N ATOM 2757 CA THR B 81 -0.865 8.433 3.605 1.00 0.00 C ATOM 2758 C THR B 81 0.019 9.522 3.031 1.00 0.00 C ATOM 2759 O THR B 81 0.522 10.365 3.747 1.00 0.00 O ATOM 2760 CB THR B 81 -0.059 7.138 3.733 1.00 0.00 C ATOM 2761 OG1 THR B 81 -0.943 6.049 3.952 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.914 7.255 4.903 1.00 0.00 C ATOM 0 H THR B 81 -2.019 7.322 2.216 1.00 0.00 H new ATOM 0 HA THR B 81 -1.236 8.711 4.592 1.00 0.00 H new ATOM 0 HB THR B 81 0.502 6.967 2.814 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.345 5.777 3.100 1.00 0.00 H new ATOM 0 HG21 THR B 81 1.487 6.332 4.993 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.594 8.089 4.729 1.00 0.00 H new ATOM 0 HG23 THR B 81 0.357 7.427 5.824 1.00 0.00 H new ATOM 2770 N THR B 82 0.238 9.508 1.739 1.00 0.00 N ATOM 2771 CA THR B 82 1.117 10.540 1.130 1.00 0.00 C ATOM 2772 C THR B 82 0.560 11.937 1.382 1.00 0.00 C ATOM 2773 O THR B 82 1.285 12.836 1.758 1.00 0.00 O ATOM 2774 CB THR B 82 1.200 10.274 -0.369 1.00 0.00 C ATOM 2775 OG1 THR B 82 -0.113 10.174 -0.898 1.00 0.00 O ATOM 2776 CG2 THR B 82 1.964 8.956 -0.612 1.00 0.00 C ATOM 0 H THR B 82 -0.154 8.828 1.087 1.00 0.00 H new ATOM 0 HA THR B 82 2.109 10.488 1.579 1.00 0.00 H new ATOM 0 HB THR B 82 1.727 11.091 -0.862 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.764 10.207 -0.166 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.025 8.763 -1.683 1.00 0.00 H new ATOM 0 HG22 THR B 82 2.970 9.037 -0.200 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.438 8.135 -0.125 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.720 12.140 1.197 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.283 13.490 1.454 1.00 0.00 C ATOM 2786 C ALA B 83 -0.915 13.895 2.877 1.00 0.00 C ATOM 2787 O ALA B 83 -0.774 15.061 3.191 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.805 13.447 1.310 1.00 0.00 C ATOM 0 H ALA B 83 -1.388 11.436 0.883 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.882 14.209 0.740 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.217 14.438 1.499 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -3.066 13.132 0.300 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.219 12.740 2.029 1.00 0.00 H new ATOM 2794 N CYS B 84 -0.760 12.928 3.740 1.00 0.00 N ATOM 2795 CA CYS B 84 -0.400 13.240 5.152 1.00 0.00 C ATOM 2796 C CYS B 84 1.108 13.496 5.263 1.00 0.00 C ATOM 2797 O CYS B 84 1.593 13.942 6.285 1.00 0.00 O ATOM 2798 CB CYS B 84 -0.780 12.054 6.043 1.00 0.00 C ATOM 2799 SG CYS B 84 -2.426 11.459 5.581 1.00 0.00 S ATOM 0 H CYS B 84 -0.867 11.936 3.528 1.00 0.00 H new ATOM 0 HA CYS B 84 -0.939 14.132 5.472 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -0.048 11.254 5.934 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -0.770 12.354 7.091 1.00 0.00 H new ATOM 0 HG CYS B 84 -2.387 10.965 4.379 1.00 0.00 H new ATOM 2805 N HIS B 85 1.857 13.202 4.226 1.00 0.00 N ATOM 2806 CA HIS B 85 3.344 13.410 4.271 1.00 0.00 C ATOM 2807 C HIS B 85 3.746 14.643 3.445 1.00 0.00 C ATOM 2808 O HIS B 85 4.596 15.411 3.849 1.00 0.00 O ATOM 2809 CB HIS B 85 4.037 12.159 3.702 1.00 0.00 C ATOM 2810 CG HIS B 85 5.470 12.466 3.336 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.952 12.296 2.049 1.00 0.00 N ATOM 2812 CD2 HIS B 85 6.525 12.946 4.071 1.00 0.00 C ATOM 2813 CE1 HIS B 85 7.244 12.666 2.048 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.645 13.072 3.256 1.00 0.00 N ATOM 0 H HIS B 85 1.503 12.826 3.347 1.00 0.00 H new ATOM 0 HA HIS B 85 3.651 13.575 5.304 1.00 0.00 H new ATOM 0 HB2 HIS B 85 4.008 11.354 4.437 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.499 11.807 2.822 1.00 0.00 H new ATOM 0 HD1 HIS B 85 5.423 11.952 1.248 1.00 0.00 H new ATOM 0 HD2 HIS B 85 6.491 13.189 5.123 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.881 12.638 1.176 1.00 0.00 H new ATOM 2822 N GLU B 86 3.169 14.832 2.291 1.00 0.00 N ATOM 2823 CA GLU B 86 3.562 16.010 1.458 1.00 0.00 C ATOM 2824 C GLU B 86 2.872 17.274 1.973 1.00 0.00 C ATOM 2825 O GLU B 86 3.401 18.364 1.870 1.00 0.00 O ATOM 2826 CB GLU B 86 3.164 15.767 0.001 1.00 0.00 C ATOM 2827 CG GLU B 86 1.641 15.716 -0.109 1.00 0.00 C ATOM 2828 CD GLU B 86 1.242 15.136 -1.468 1.00 0.00 C ATOM 2829 OE1 GLU B 86 2.119 14.653 -2.166 1.00 0.00 O ATOM 2830 OE2 GLU B 86 0.066 15.185 -1.789 1.00 0.00 O ATOM 0 H GLU B 86 2.450 14.231 1.889 1.00 0.00 H new ATOM 0 HA GLU B 86 4.642 16.143 1.523 1.00 0.00 H new ATOM 0 HB2 GLU B 86 3.559 16.561 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU B 86 3.597 14.832 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU B 86 1.229 15.104 0.694 1.00 0.00 H new ATOM 0 HG3 GLU B 86 1.224 16.717 0.007 1.00 0.00 H new ATOM 2837 N PHE B 87 1.700 17.146 2.526 1.00 0.00 N ATOM 2838 CA PHE B 87 0.993 18.353 3.041 1.00 0.00 C ATOM 2839 C PHE B 87 1.758 18.913 4.239 1.00 0.00 C ATOM 2840 O PHE B 87 2.019 20.097 4.324 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.426 17.976 3.471 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.186 19.231 3.828 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -1.101 19.755 5.124 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -1.973 19.871 2.865 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -1.802 20.920 5.455 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -2.676 21.036 3.196 1.00 0.00 C ATOM 2847 CZ PHE B 87 -2.591 21.561 4.490 1.00 0.00 C ATOM 0 H PHE B 87 1.202 16.264 2.644 1.00 0.00 H new ATOM 0 HA PHE B 87 0.941 19.106 2.255 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -0.934 17.445 2.666 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.393 17.301 4.326 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -0.494 19.260 5.868 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -2.039 19.467 1.866 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -1.735 21.325 6.454 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -3.284 21.529 2.452 1.00 0.00 H new ATOM 0 HZ PHE B 87 -3.133 22.460 4.745 1.00 0.00 H new ATOM 2857 N PHE B 88 2.121 18.072 5.167 1.00 0.00 N ATOM 2858 CA PHE B 88 2.871 18.557 6.360 1.00 0.00 C ATOM 2859 C PHE B 88 4.284 18.965 5.942 1.00 0.00 C ATOM 2860 O PHE B 88 4.837 19.924 6.443 1.00 0.00 O ATOM 2861 CB PHE B 88 2.950 17.439 7.401 1.00 0.00 C ATOM 2862 CG PHE B 88 3.621 17.959 8.651 1.00 0.00 C ATOM 2863 CD1 PHE B 88 2.900 18.747 9.555 1.00 0.00 C ATOM 2864 CD2 PHE B 88 4.964 17.653 8.904 1.00 0.00 C ATOM 2865 CE1 PHE B 88 3.521 19.229 10.714 1.00 0.00 C ATOM 2866 CE2 PHE B 88 5.585 18.135 10.064 1.00 0.00 C ATOM 2867 CZ PHE B 88 4.863 18.922 10.968 1.00 0.00 C ATOM 0 H PHE B 88 1.931 17.070 5.151 1.00 0.00 H new ATOM 0 HA PHE B 88 2.356 19.417 6.788 1.00 0.00 H new ATOM 0 HB2 PHE B 88 1.950 17.076 7.637 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.509 16.594 7.000 1.00 0.00 H new ATOM 0 HD1 PHE B 88 1.865 18.983 9.359 1.00 0.00 H new ATOM 0 HD2 PHE B 88 5.521 17.046 8.205 1.00 0.00 H new ATOM 0 HE1 PHE B 88 2.965 19.837 11.412 1.00 0.00 H new ATOM 0 HE2 PHE B 88 6.621 17.899 10.260 1.00 0.00 H new ATOM 0 HZ PHE B 88 5.341 19.293 11.862 1.00 0.00 H new ATOM 2877 N GLU B 89 4.876 18.242 5.027 1.00 0.00 N ATOM 2878 CA GLU B 89 6.258 18.586 4.573 1.00 0.00 C ATOM 2879 C GLU B 89 6.182 19.559 3.395 1.00 0.00 C ATOM 2880 O GLU B 89 7.005 19.532 2.502 1.00 0.00 O ATOM 2881 CB GLU B 89 6.986 17.304 4.137 1.00 0.00 C ATOM 2882 CG GLU B 89 8.503 17.535 4.155 1.00 0.00 C ATOM 2883 CD GLU B 89 9.206 16.464 3.316 1.00 0.00 C ATOM 2884 OE1 GLU B 89 8.689 15.360 3.235 1.00 0.00 O ATOM 2885 OE2 GLU B 89 10.254 16.768 2.770 1.00 0.00 O ATOM 0 H GLU B 89 4.462 17.427 4.574 1.00 0.00 H new ATOM 0 HA GLU B 89 6.805 19.053 5.392 1.00 0.00 H new ATOM 0 HB2 GLU B 89 6.726 16.483 4.805 1.00 0.00 H new ATOM 0 HB3 GLU B 89 6.665 17.015 3.136 1.00 0.00 H new ATOM 0 HG2 GLU B 89 8.733 18.525 3.762 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.872 17.505 5.180 1.00 0.00 H new ATOM 2892 N HIS B 90 5.200 20.417 3.381 1.00 0.00 N ATOM 2893 CA HIS B 90 5.085 21.382 2.252 1.00 0.00 C ATOM 2894 C HIS B 90 6.210 22.414 2.346 1.00 0.00 C ATOM 2895 O HIS B 90 6.138 23.360 3.105 1.00 0.00 O ATOM 2896 CB HIS B 90 3.734 22.096 2.325 1.00 0.00 C ATOM 2897 CG HIS B 90 3.542 22.928 1.087 1.00 0.00 C ATOM 2898 ND1 HIS B 90 3.113 22.381 -0.115 1.00 0.00 N ATOM 2899 CD2 HIS B 90 3.716 24.269 0.846 1.00 0.00 C ATOM 2900 CE1 HIS B 90 3.046 23.379 -1.014 1.00 0.00 C ATOM 2901 NE2 HIS B 90 3.403 24.548 -0.479 1.00 0.00 N ATOM 0 H HIS B 90 4.477 20.492 4.097 1.00 0.00 H new ATOM 0 HA HIS B 90 5.162 20.844 1.307 1.00 0.00 H new ATOM 0 HB2 HIS B 90 2.929 21.367 2.415 1.00 0.00 H new ATOM 0 HB3 HIS B 90 3.692 22.728 3.212 1.00 0.00 H new ATOM 0 HD2 HIS B 90 4.045 24.995 1.574 1.00 0.00 H new ATOM 0 HE1 HIS B 90 2.741 23.250 -2.042 1.00 0.00 H new ATOM 0 HE2 HIS B 90 3.439 25.455 -0.944 1.00 0.00 H new ATOM 2910 N GLU B 91 7.247 22.238 1.576 1.00 0.00 N ATOM 2911 CA GLU B 91 8.379 23.206 1.613 1.00 0.00 C ATOM 2912 C GLU B 91 7.926 24.539 1.013 1.00 0.00 C ATOM 2913 O GLU B 91 7.513 25.399 1.774 1.00 0.00 O ATOM 2914 CB GLU B 91 9.548 22.648 0.798 1.00 0.00 C ATOM 2915 CG GLU B 91 10.717 23.636 0.824 1.00 0.00 C ATOM 2916 CD GLU B 91 11.928 23.014 0.125 1.00 0.00 C ATOM 2917 OE1 GLU B 91 11.721 22.216 -0.776 1.00 0.00 O ATOM 2918 OE2 GLU B 91 13.040 23.345 0.501 1.00 0.00 O ATOM 2919 OXT GLU B 91 8.002 24.678 -0.197 1.00 0.00 O ATOM 0 H GLU B 91 7.360 21.464 0.921 1.00 0.00 H new ATOM 0 HA GLU B 91 8.696 23.362 2.644 1.00 0.00 H new ATOM 0 HB2 GLU B 91 9.862 21.688 1.207 1.00 0.00 H new ATOM 0 HB3 GLU B 91 9.234 22.469 -0.230 1.00 0.00 H new ATOM 0 HG2 GLU B 91 10.434 24.564 0.327 1.00 0.00 H new ATOM 0 HG3 GLU B 91 10.969 23.890 1.854 1.00 0.00 H new TER 2926 GLU B 91 HETATM 2927 CA CA A 92 14.748 7.053 -1.731 1.00 0.00 CA HETATM 2928 CA CA A 93 7.024 1.741 -10.732 1.00 0.00 CA HETATM 2929 ZN ZN A 94 9.426 13.556 2.394 1.00 0.00 ZN HETATM 2930 CA CA B 92 -15.000 -7.173 -2.379 1.00 0.00 CA HETATM 2931 CA CA B 93 -6.892 -1.475 -10.845 1.00 0.00 CA HETATM 2932 ZN ZN B 94 -9.425 -13.583 1.984 1.00 0.00 ZN