USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 THR OG1 : rot 152:sc= 0.008 USER MOD Set 1.2: A 105 ASN : amide:sc= -0.784 K(o=-0.78,f=-8.5!) USER MOD Set 2.1: A 89 ASN : amide:sc= -1.82! C(o=-2.6!,f=-3.3!) USER MOD Set 2.2: A 94 GLN : amide:sc= -0.761 X(o=-2.6,f=-2.8) USER MOD Set 3.1: A 17 TYR OH : rot -130:sc= -0.339 USER MOD Set 3.2: A 29 HIS : no HE2:sc= -1.36 K(o=-1.3,f=-4.4!) USER MOD Set 3.3: A 65 SER OG : rot 116:sc= 0.429 USER MOD Set 4.1: A 57 THR OG1 : rot -109:sc= 0.441 USER MOD Set 4.2: A 84 THR OG1 : rot 180:sc= 0.441 USER MOD Set 5.1: A 37 GLN :FLIP amide:sc= 0.00274 F(o=-1.6,f=-0.24) USER MOD Set 5.2: A 87 SER OG : rot -168:sc= -0.243 USER MOD Set 6.1: A 12 THR OG1 : rot 180:sc= 0.00589 USER MOD Set 6.2: A 95 ASN : amide:sc= -1.02 K(o=-1,f=-3.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.00655 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc=-0.00469 (180deg=-0.114) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.0151 K(o=0.015,f=-1.2) USER MOD Single : A 13 GLN :FLIP amide:sc= -1.43 F(o=-2!,f=-1.4) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 16 HIS : no HE2:sc= -0.0253 X(o=-0.025,f=-0.5) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.195 USER MOD Single : A 26 HIS : no HD1:sc= -0.256 K(o=-0.26,f=-1.1) USER MOD Single : A 32 SER OG : rot 180:sc= -0.536 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -82:sc= 0.472 USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= -0.0126 (180deg=-0.099) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.555 K(o=0.55,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 137:sc= -0.782 (180deg=-2.88!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.029) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.588 K(o=-0.59,f=-6.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.309 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -137:sc= 0.559 (180deg=-0.166) USER MOD Single : A 77 MET CE :methyl -176:sc= -0.0875 (180deg=-0.12) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= -0.01 (180deg=-0.0981) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 123:sc= 1.22 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0.588 K(o=0.59,f=-1.5) USER MOD Single : A 110 ASN : amide:sc= 0.00746 X(o=0.0075,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00445) USER MOD Single : A 112 LYS NZ :NH3+ 164:sc= -0.0634 (180deg=-0.337) USER MOD Single : A 117 HIS : no HD1:sc= -0.0765 X(o=-0.077,f=-0.0044) USER MOD Single : A 118 HIS : no HD1:sc= -0.233 K(o=-0.23,f=-0.82) USER MOD Single : A 119 HIS : no HD1:sc= -0.0733 X(o=-0.073,f=-0.0051) USER MOD Single : A 120 HIS : no HD1:sc= -0.967 X(o=-0.97,f=-0.66) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.832 -29.363 1.829 1.00 0.00 N ATOM 2 CA MET A 1 19.363 -29.484 1.853 1.00 0.00 C ATOM 3 C MET A 1 18.744 -28.084 1.789 1.00 0.00 C ATOM 4 O MET A 1 19.179 -27.184 2.506 1.00 0.00 O ATOM 5 CB MET A 1 18.893 -30.231 3.128 1.00 0.00 C ATOM 6 CG MET A 1 17.386 -30.528 3.163 1.00 0.00 C ATOM 7 SD MET A 1 16.865 -31.385 4.667 1.00 0.00 S ATOM 8 CE MET A 1 15.117 -31.628 4.343 1.00 0.00 C ATOM 0 H1 MET A 1 21.254 -30.145 2.369 1.00 0.00 H new ATOM 0 H2 MET A 1 21.167 -29.401 0.845 1.00 0.00 H new ATOM 0 H3 MET A 1 21.113 -28.457 2.255 1.00 0.00 H new ATOM 0 HA MET A 1 19.036 -30.064 0.990 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.439 -31.171 3.207 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.155 -29.635 4.002 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.835 -29.591 3.077 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.121 -31.134 2.297 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.659 -32.146 5.186 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.634 -30.660 4.207 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.994 -32.225 3.440 1.00 0.00 H new ATOM 20 N ILE A 2 17.734 -27.911 0.934 1.00 0.00 N ATOM 21 CA ILE A 2 17.042 -26.620 0.744 1.00 0.00 C ATOM 22 C ILE A 2 15.582 -26.746 1.233 1.00 0.00 C ATOM 23 O ILE A 2 15.010 -27.840 1.201 1.00 0.00 O ATOM 24 CB ILE A 2 17.070 -26.187 -0.783 1.00 0.00 C ATOM 25 CG1 ILE A 2 18.539 -26.074 -1.317 1.00 0.00 C ATOM 26 CG2 ILE A 2 16.308 -24.861 -1.017 1.00 0.00 C ATOM 27 CD1 ILE A 2 19.380 -24.961 -0.687 1.00 0.00 C ATOM 0 H ILE A 2 17.366 -28.661 0.348 1.00 0.00 H new ATOM 0 HA ILE A 2 17.557 -25.854 1.324 1.00 0.00 H new ATOM 0 HB ILE A 2 16.560 -26.970 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 2 19.043 -27.026 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 2 18.505 -25.915 -2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 2 16.350 -24.599 -2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.268 -24.981 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 2 16.768 -24.068 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 2 20.378 -24.968 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 2 18.908 -23.997 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 2 19.454 -25.125 0.388 1.00 0.00 H new ATOM 39 N GLU A 3 14.996 -25.626 1.695 1.00 0.00 N ATOM 40 CA GLU A 3 13.552 -25.538 2.015 1.00 0.00 C ATOM 41 C GLU A 3 12.949 -24.256 1.393 1.00 0.00 C ATOM 42 O GLU A 3 13.672 -23.269 1.199 1.00 0.00 O ATOM 43 CB GLU A 3 13.308 -25.550 3.552 1.00 0.00 C ATOM 44 CG GLU A 3 13.971 -24.393 4.324 1.00 0.00 C ATOM 45 CD GLU A 3 13.525 -24.286 5.795 1.00 0.00 C ATOM 46 OE1 GLU A 3 13.698 -25.266 6.550 1.00 0.00 O ATOM 47 OE2 GLU A 3 12.987 -23.229 6.193 1.00 0.00 O ATOM 0 H GLU A 3 15.505 -24.757 1.858 1.00 0.00 H new ATOM 0 HA GLU A 3 13.060 -26.413 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.234 -25.521 3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.674 -26.494 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.053 -24.521 4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.745 -23.455 3.817 1.00 0.00 H new ATOM 54 N PRO A 4 11.618 -24.258 1.043 1.00 0.00 N ATOM 55 CA PRO A 4 10.900 -23.028 0.616 1.00 0.00 C ATOM 56 C PRO A 4 10.722 -22.027 1.782 1.00 0.00 C ATOM 57 O PRO A 4 10.313 -22.419 2.881 1.00 0.00 O ATOM 58 CB PRO A 4 9.530 -23.557 0.104 1.00 0.00 C ATOM 59 CG PRO A 4 9.718 -25.033 -0.075 1.00 0.00 C ATOM 60 CD PRO A 4 10.719 -25.445 0.976 1.00 0.00 C ATOM 0 HA PRO A 4 11.448 -22.472 -0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.735 -23.346 0.819 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.250 -23.079 -0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.776 -25.566 0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.083 -25.263 -1.076 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.242 -25.648 1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.259 -26.348 0.691 1.00 0.00 H new ATOM 68 N ILE A 5 11.015 -20.740 1.524 1.00 0.00 N ATOM 69 CA ILE A 5 10.912 -19.655 2.511 1.00 0.00 C ATOM 70 C ILE A 5 10.401 -18.422 1.774 1.00 0.00 C ATOM 71 O ILE A 5 10.807 -18.147 0.641 1.00 0.00 O ATOM 72 CB ILE A 5 12.290 -19.307 3.198 1.00 0.00 C ATOM 73 CG1 ILE A 5 13.407 -19.171 2.118 1.00 0.00 C ATOM 74 CG2 ILE A 5 12.662 -20.342 4.285 1.00 0.00 C ATOM 75 CD1 ILE A 5 14.678 -18.497 2.568 1.00 0.00 C ATOM 0 H ILE A 5 11.335 -20.422 0.609 1.00 0.00 H new ATOM 0 HA ILE A 5 10.240 -19.977 3.306 1.00 0.00 H new ATOM 0 HB ILE A 5 12.190 -18.348 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.656 -20.167 1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.003 -18.614 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.616 -20.069 4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.889 -20.357 5.053 1.00 0.00 H new ATOM 0 HG23 ILE A 5 12.743 -21.331 3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.383 -18.457 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.454 -17.484 2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.118 -19.062 3.390 1.00 0.00 H new ATOM 87 N LYS A 6 9.481 -17.709 2.402 1.00 0.00 N ATOM 88 CA LYS A 6 8.865 -16.504 1.836 1.00 0.00 C ATOM 89 C LYS A 6 8.848 -15.394 2.908 1.00 0.00 C ATOM 90 O LYS A 6 8.861 -15.672 4.115 1.00 0.00 O ATOM 91 CB LYS A 6 7.416 -16.775 1.326 1.00 0.00 C ATOM 92 CG LYS A 6 7.237 -17.417 -0.068 1.00 0.00 C ATOM 93 CD LYS A 6 7.743 -18.877 -0.153 1.00 0.00 C ATOM 94 CE LYS A 6 7.399 -19.587 -1.465 1.00 0.00 C ATOM 95 NZ LYS A 6 5.946 -19.744 -1.643 1.00 0.00 N ATOM 0 H LYS A 6 9.132 -17.947 3.330 1.00 0.00 H new ATOM 0 HA LYS A 6 9.458 -16.189 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.922 -17.419 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.881 -15.825 1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.181 -17.392 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.767 -16.815 -0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.825 -18.882 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.320 -19.445 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.808 -19.020 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.874 -20.568 -1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.761 -20.386 -2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.531 -20.140 -0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.518 -18.817 -1.839 1.00 0.00 H new ATOM 109 N ARG A 7 8.833 -14.138 2.438 1.00 0.00 N ATOM 110 CA ARG A 7 8.656 -12.931 3.270 1.00 0.00 C ATOM 111 C ARG A 7 7.428 -12.171 2.760 1.00 0.00 C ATOM 112 O ARG A 7 7.111 -12.220 1.570 1.00 0.00 O ATOM 113 CB ARG A 7 9.905 -12.008 3.226 1.00 0.00 C ATOM 114 CG ARG A 7 11.183 -12.584 3.858 1.00 0.00 C ATOM 115 CD ARG A 7 10.983 -13.068 5.306 1.00 0.00 C ATOM 116 NE ARG A 7 10.486 -12.005 6.199 1.00 0.00 N ATOM 117 CZ ARG A 7 10.252 -12.134 7.517 1.00 0.00 C ATOM 118 NH1 ARG A 7 10.464 -13.287 8.149 1.00 0.00 N ATOM 119 NH2 ARG A 7 9.805 -11.092 8.191 1.00 0.00 N ATOM 0 H ARG A 7 8.946 -13.925 1.447 1.00 0.00 H new ATOM 0 HA ARG A 7 8.519 -13.237 4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.116 -11.762 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.661 -11.073 3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.537 -13.416 3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.963 -11.823 3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.279 -13.900 5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.929 -13.448 5.692 1.00 0.00 H new ATOM 0 HE ARG A 7 10.304 -11.093 5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.811 -14.095 7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.280 -13.362 9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 7 9.642 -10.206 7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.622 -11.172 9.191 1.00 0.00 H new ATOM 133 N THR A 8 6.749 -11.472 3.675 1.00 0.00 N ATOM 134 CA THR A 8 5.533 -10.710 3.386 1.00 0.00 C ATOM 135 C THR A 8 5.773 -9.248 3.783 1.00 0.00 C ATOM 136 O THR A 8 5.872 -8.935 4.977 1.00 0.00 O ATOM 137 CB THR A 8 4.315 -11.287 4.188 1.00 0.00 C ATOM 138 OG1 THR A 8 4.210 -12.700 3.969 1.00 0.00 O ATOM 139 CG2 THR A 8 2.991 -10.617 3.786 1.00 0.00 C ATOM 0 H THR A 8 7.035 -11.420 4.653 1.00 0.00 H new ATOM 0 HA THR A 8 5.302 -10.781 2.323 1.00 0.00 H new ATOM 0 HB THR A 8 4.495 -11.080 5.243 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.448 -13.054 4.474 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.175 -11.047 4.366 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.051 -9.546 3.982 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.808 -10.782 2.724 1.00 0.00 H new ATOM 147 N GLN A 9 5.911 -8.365 2.791 1.00 0.00 N ATOM 148 CA GLN A 9 6.045 -6.918 3.036 1.00 0.00 C ATOM 149 C GLN A 9 4.730 -6.236 2.672 1.00 0.00 C ATOM 150 O GLN A 9 4.016 -6.706 1.778 1.00 0.00 O ATOM 151 CB GLN A 9 7.197 -6.305 2.191 1.00 0.00 C ATOM 152 CG GLN A 9 7.579 -4.860 2.565 1.00 0.00 C ATOM 153 CD GLN A 9 8.122 -4.764 3.995 1.00 0.00 C ATOM 154 OE1 GLN A 9 7.367 -4.539 4.941 1.00 0.00 O ATOM 155 NE2 GLN A 9 9.429 -4.946 4.164 1.00 0.00 N ATOM 0 H GLN A 9 5.933 -8.624 1.805 1.00 0.00 H new ATOM 0 HA GLN A 9 6.280 -6.762 4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.079 -6.937 2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.909 -6.329 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.330 -4.491 1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.705 -4.216 2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.027 -5.131 3.358 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.833 -4.901 5.099 1.00 0.00 H new ATOM 164 N VAL A 10 4.399 -5.134 3.366 1.00 0.00 N ATOM 165 CA VAL A 10 3.236 -4.312 3.016 1.00 0.00 C ATOM 166 C VAL A 10 3.663 -2.853 2.803 1.00 0.00 C ATOM 167 O VAL A 10 4.316 -2.247 3.662 1.00 0.00 O ATOM 168 CB VAL A 10 2.066 -4.412 4.071 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.505 -5.851 4.142 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.496 -3.912 5.470 1.00 0.00 C ATOM 0 H VAL A 10 4.923 -4.795 4.173 1.00 0.00 H new ATOM 0 HA VAL A 10 2.835 -4.709 2.083 1.00 0.00 H new ATOM 0 HB VAL A 10 1.269 -3.752 3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.700 -5.892 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.119 -6.140 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.299 -6.537 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.658 -4.000 6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.330 -4.514 5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.804 -2.868 5.405 1.00 0.00 H new ATOM 180 N VAL A 11 3.350 -2.320 1.615 1.00 0.00 N ATOM 181 CA VAL A 11 3.468 -0.890 1.332 1.00 0.00 C ATOM 182 C VAL A 11 2.071 -0.296 1.520 1.00 0.00 C ATOM 183 O VAL A 11 1.130 -0.685 0.827 1.00 0.00 O ATOM 184 CB VAL A 11 4.026 -0.612 -0.111 1.00 0.00 C ATOM 185 CG1 VAL A 11 3.911 0.879 -0.488 1.00 0.00 C ATOM 186 CG2 VAL A 11 5.493 -1.102 -0.232 1.00 0.00 C ATOM 0 H VAL A 11 3.009 -2.870 0.826 1.00 0.00 H new ATOM 0 HA VAL A 11 4.186 -0.426 2.008 1.00 0.00 H new ATOM 0 HB VAL A 11 3.414 -1.174 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.307 1.032 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.864 1.182 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.481 1.479 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.862 -0.901 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.113 -0.576 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.536 -2.174 -0.037 1.00 0.00 H new ATOM 196 N THR A 12 1.946 0.583 2.509 1.00 0.00 N ATOM 197 CA THR A 12 0.664 1.132 2.964 1.00 0.00 C ATOM 198 C THR A 12 0.378 2.498 2.312 1.00 0.00 C ATOM 199 O THR A 12 1.302 3.220 1.956 1.00 0.00 O ATOM 200 CB THR A 12 0.695 1.264 4.521 1.00 0.00 C ATOM 201 OG1 THR A 12 1.872 1.979 4.945 1.00 0.00 O ATOM 202 CG2 THR A 12 0.650 -0.116 5.211 1.00 0.00 C ATOM 0 H THR A 12 2.746 0.944 3.030 1.00 0.00 H new ATOM 0 HA THR A 12 -0.138 0.456 2.666 1.00 0.00 H new ATOM 0 HB THR A 12 -0.194 1.822 4.816 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.875 2.054 5.922 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.673 0.017 6.293 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.266 -0.634 4.929 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.511 -0.707 4.900 1.00 0.00 H new ATOM 210 N GLN A 13 -0.910 2.847 2.152 1.00 0.00 N ATOM 211 CA GLN A 13 -1.328 4.165 1.654 1.00 0.00 C ATOM 212 C GLN A 13 -2.307 4.778 2.661 1.00 0.00 C ATOM 213 O GLN A 13 -3.444 4.306 2.787 1.00 0.00 O ATOM 214 CB GLN A 13 -1.994 4.040 0.266 1.00 0.00 C ATOM 215 CG GLN A 13 -2.163 5.373 -0.476 1.00 0.00 C ATOM 216 CD GLN A 13 -2.848 5.238 -1.836 1.00 0.00 C ATOM 217 OE1 GLN A 13 -2.441 6.065 -2.785 1.00 0.00 O flip ATOM 218 NE2 GLN A 13 -3.726 4.392 -2.025 1.00 0.00 N flip ATOM 0 H GLN A 13 -1.688 2.223 2.364 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.454 4.808 1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.398 3.367 -0.351 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.974 3.578 0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.743 6.054 0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.182 5.827 -0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.010 3.774 -1.265 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.167 4.311 -2.941 1.00 0.00 H new ATOM 227 N THR A 14 -1.848 5.802 3.394 1.00 0.00 N ATOM 228 CA THR A 14 -2.638 6.465 4.432 1.00 0.00 C ATOM 229 C THR A 14 -3.579 7.520 3.814 1.00 0.00 C ATOM 230 O THR A 14 -3.127 8.581 3.361 1.00 0.00 O ATOM 231 CB THR A 14 -1.684 7.131 5.494 1.00 0.00 C ATOM 232 OG1 THR A 14 -0.631 7.833 4.833 1.00 0.00 O ATOM 233 CG2 THR A 14 -1.050 6.123 6.451 1.00 0.00 C ATOM 0 H THR A 14 -0.913 6.193 3.280 1.00 0.00 H new ATOM 0 HA THR A 14 -3.252 5.716 4.932 1.00 0.00 H new ATOM 0 HB THR A 14 -2.309 7.807 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.044 8.245 5.500 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.405 6.647 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.833 5.597 6.997 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.459 5.404 5.883 1.00 0.00 H new ATOM 241 N ILE A 15 -4.893 7.209 3.769 1.00 0.00 N ATOM 242 CA ILE A 15 -5.927 8.173 3.322 1.00 0.00 C ATOM 243 C ILE A 15 -6.619 8.806 4.549 1.00 0.00 C ATOM 244 O ILE A 15 -6.985 8.118 5.514 1.00 0.00 O ATOM 245 CB ILE A 15 -7.000 7.561 2.305 1.00 0.00 C ATOM 246 CG1 ILE A 15 -6.421 7.445 0.848 1.00 0.00 C ATOM 247 CG2 ILE A 15 -8.308 8.393 2.275 1.00 0.00 C ATOM 248 CD1 ILE A 15 -5.237 6.522 0.693 1.00 0.00 C ATOM 0 H ILE A 15 -5.265 6.298 4.037 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.406 8.943 2.753 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.231 6.561 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.216 7.103 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.131 8.440 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.009 7.943 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.752 8.409 3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.084 9.412 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.916 6.514 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.419 6.871 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.520 5.513 0.993 1.00 0.00 H new ATOM 260 N HIS A 16 -6.747 10.134 4.494 1.00 0.00 N ATOM 261 CA HIS A 16 -7.469 10.928 5.478 1.00 0.00 C ATOM 262 C HIS A 16 -8.712 11.487 4.780 1.00 0.00 C ATOM 263 O HIS A 16 -8.594 12.103 3.718 1.00 0.00 O ATOM 264 CB HIS A 16 -6.593 12.108 5.975 1.00 0.00 C ATOM 265 CG HIS A 16 -5.269 11.731 6.595 1.00 0.00 C ATOM 266 ND1 HIS A 16 -4.896 12.134 7.858 1.00 0.00 N ATOM 267 CD2 HIS A 16 -4.194 11.064 6.088 1.00 0.00 C ATOM 268 CE1 HIS A 16 -3.661 11.741 8.104 1.00 0.00 C ATOM 269 NE2 HIS A 16 -3.216 11.088 7.048 1.00 0.00 N ATOM 0 H HIS A 16 -6.341 10.695 3.745 1.00 0.00 H new ATOM 0 HA HIS A 16 -7.733 10.313 6.338 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.402 12.773 5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.166 12.677 6.707 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -5.486 12.657 8.505 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -4.126 10.603 5.114 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.109 11.923 9.014 1.00 0.00 H new ATOM 278 N TYR A 17 -9.887 11.249 5.346 1.00 0.00 N ATOM 279 CA TYR A 17 -11.132 11.841 4.847 1.00 0.00 C ATOM 280 C TYR A 17 -11.421 13.067 5.698 1.00 0.00 C ATOM 281 O TYR A 17 -11.477 12.956 6.927 1.00 0.00 O ATOM 282 CB TYR A 17 -12.300 10.828 4.941 1.00 0.00 C ATOM 283 CG TYR A 17 -12.097 9.585 4.069 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.333 9.634 2.700 1.00 0.00 C ATOM 285 CD2 TYR A 17 -11.642 8.383 4.603 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.123 8.543 1.893 1.00 0.00 C ATOM 287 CE2 TYR A 17 -11.439 7.286 3.794 1.00 0.00 C ATOM 288 CZ TYR A 17 -11.681 7.372 2.444 1.00 0.00 C ATOM 289 OH TYR A 17 -11.468 6.284 1.647 1.00 0.00 O ATOM 0 H TYR A 17 -10.010 10.645 6.159 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.028 12.116 3.797 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.421 10.519 5.979 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.225 11.323 4.646 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.691 10.553 2.260 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.446 8.309 5.662 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.306 8.609 0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.089 6.358 4.221 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.918 5.503 2.032 1.00 0.00 H new ATOM 299 N ARG A 18 -11.564 14.230 5.049 1.00 0.00 N ATOM 300 CA ARG A 18 -11.850 15.511 5.718 1.00 0.00 C ATOM 301 C ARG A 18 -12.822 16.342 4.893 1.00 0.00 C ATOM 302 O ARG A 18 -13.361 15.874 3.899 1.00 0.00 O ATOM 303 CB ARG A 18 -10.540 16.315 6.002 1.00 0.00 C ATOM 304 CG ARG A 18 -9.819 15.834 7.255 1.00 0.00 C ATOM 305 CD ARG A 18 -8.549 16.602 7.566 1.00 0.00 C ATOM 306 NE ARG A 18 -8.751 18.036 7.876 1.00 0.00 N ATOM 307 CZ ARG A 18 -7.754 18.944 8.002 1.00 0.00 C ATOM 308 NH1 ARG A 18 -6.480 18.592 7.839 1.00 0.00 N ATOM 309 NH2 ARG A 18 -8.038 20.194 8.340 1.00 0.00 N ATOM 0 H ARG A 18 -11.484 14.311 4.035 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.314 15.286 6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.871 16.227 5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.783 17.372 6.110 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.497 15.912 8.105 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.574 14.778 7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.053 16.128 8.413 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.874 16.520 6.714 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.709 18.363 8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.243 17.626 7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.742 19.289 7.938 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.006 20.470 8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.289 20.879 8.435 1.00 0.00 H new ATOM 323 N TYR A 19 -13.044 17.580 5.356 1.00 0.00 N ATOM 324 CA TYR A 19 -13.950 18.547 4.716 1.00 0.00 C ATOM 325 C TYR A 19 -13.182 19.784 4.262 1.00 0.00 C ATOM 326 O TYR A 19 -12.042 20.025 4.689 1.00 0.00 O ATOM 327 CB TYR A 19 -15.076 18.955 5.708 1.00 0.00 C ATOM 328 CG TYR A 19 -16.036 17.805 6.073 1.00 0.00 C ATOM 329 CD1 TYR A 19 -17.031 17.398 5.188 1.00 0.00 C ATOM 330 CD2 TYR A 19 -15.951 17.131 7.296 1.00 0.00 C ATOM 331 CE1 TYR A 19 -17.901 16.378 5.516 1.00 0.00 C ATOM 332 CE2 TYR A 19 -16.819 16.110 7.615 1.00 0.00 C ATOM 333 CZ TYR A 19 -17.789 15.744 6.724 1.00 0.00 C ATOM 334 OH TYR A 19 -18.664 14.746 7.045 1.00 0.00 O ATOM 0 H TYR A 19 -12.594 17.944 6.196 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.397 18.077 3.840 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.621 19.338 6.621 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.652 19.771 5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.123 17.888 4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.189 17.417 8.005 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.670 16.080 4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.734 15.601 8.564 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.450 14.397 7.936 1.00 0.00 H new ATOM 344 N GLU A 20 -13.849 20.563 3.394 1.00 0.00 N ATOM 345 CA GLU A 20 -13.379 21.890 2.949 1.00 0.00 C ATOM 346 C GLU A 20 -13.367 22.875 4.150 1.00 0.00 C ATOM 347 O GLU A 20 -12.609 23.848 4.168 1.00 0.00 O ATOM 348 CB GLU A 20 -14.296 22.438 1.815 1.00 0.00 C ATOM 349 CG GLU A 20 -15.741 22.718 2.271 1.00 0.00 C ATOM 350 CD GLU A 20 -16.571 23.559 1.292 1.00 0.00 C ATOM 351 OE1 GLU A 20 -16.094 24.637 0.869 1.00 0.00 O ATOM 352 OE2 GLU A 20 -17.710 23.163 0.968 1.00 0.00 O ATOM 0 H GLU A 20 -14.738 20.289 2.976 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.366 21.792 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.863 23.358 1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.315 21.719 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.248 21.766 2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.711 23.229 3.233 1.00 0.00 H new ATOM 359 N ASP A 21 -14.240 22.581 5.138 1.00 0.00 N ATOM 360 CA ASP A 21 -14.345 23.301 6.420 1.00 0.00 C ATOM 361 C ASP A 21 -13.098 23.045 7.299 1.00 0.00 C ATOM 362 O ASP A 21 -12.806 23.821 8.216 1.00 0.00 O ATOM 363 CB ASP A 21 -15.646 22.813 7.129 1.00 0.00 C ATOM 364 CG ASP A 21 -15.881 23.409 8.523 1.00 0.00 C ATOM 365 OD1 ASP A 21 -16.154 24.622 8.623 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.760 22.673 9.526 1.00 0.00 O ATOM 0 H ASP A 21 -14.908 21.814 5.061 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.393 24.377 6.250 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.500 23.055 6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.611 21.727 7.215 1.00 0.00 H new ATOM 371 N GLY A 22 -12.354 21.961 6.987 1.00 0.00 N ATOM 372 CA GLY A 22 -11.196 21.542 7.781 1.00 0.00 C ATOM 373 C GLY A 22 -11.561 20.444 8.777 1.00 0.00 C ATOM 374 O GLY A 22 -10.677 19.782 9.320 1.00 0.00 O ATOM 0 H GLY A 22 -12.543 21.362 6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.410 21.184 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.793 22.401 8.318 1.00 0.00 H new ATOM 378 N ALA A 23 -12.876 20.243 9.000 1.00 0.00 N ATOM 379 CA ALA A 23 -13.400 19.190 9.896 1.00 0.00 C ATOM 380 C ALA A 23 -13.008 17.777 9.396 1.00 0.00 C ATOM 381 O ALA A 23 -12.788 17.581 8.202 1.00 0.00 O ATOM 382 CB ALA A 23 -14.925 19.333 10.013 1.00 0.00 C ATOM 0 H ALA A 23 -13.606 20.807 8.564 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.954 19.314 10.883 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.314 18.558 10.673 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.168 20.313 10.422 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.377 19.230 9.026 1.00 0.00 H new ATOM 388 N VAL A 24 -12.913 16.804 10.319 1.00 0.00 N ATOM 389 CA VAL A 24 -12.501 15.422 9.998 1.00 0.00 C ATOM 390 C VAL A 24 -13.741 14.551 9.709 1.00 0.00 C ATOM 391 O VAL A 24 -14.727 14.602 10.446 1.00 0.00 O ATOM 392 CB VAL A 24 -11.645 14.783 11.159 1.00 0.00 C ATOM 393 CG1 VAL A 24 -11.085 13.403 10.739 1.00 0.00 C ATOM 394 CG2 VAL A 24 -10.515 15.748 11.615 1.00 0.00 C ATOM 0 H VAL A 24 -13.119 16.951 11.307 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.873 15.462 9.108 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.300 14.622 12.015 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.499 12.984 11.557 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.911 12.732 10.503 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.450 13.520 9.861 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.940 15.283 12.416 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.857 15.961 10.773 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.954 16.678 11.976 1.00 0.00 H new ATOM 404 N ALA A 25 -13.675 13.769 8.623 1.00 0.00 N ATOM 405 CA ALA A 25 -14.751 12.832 8.228 1.00 0.00 C ATOM 406 C ALA A 25 -14.425 11.407 8.724 1.00 0.00 C ATOM 407 O ALA A 25 -15.236 10.784 9.412 1.00 0.00 O ATOM 408 CB ALA A 25 -14.945 12.855 6.703 1.00 0.00 C ATOM 0 H ALA A 25 -12.876 13.764 7.989 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.685 13.149 8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -15.739 12.161 6.427 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.216 13.862 6.386 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.017 12.558 6.214 1.00 0.00 H new ATOM 414 N HIS A 26 -13.225 10.914 8.359 1.00 0.00 N ATOM 415 CA HIS A 26 -12.687 9.602 8.789 1.00 0.00 C ATOM 416 C HIS A 26 -11.149 9.632 8.670 1.00 0.00 C ATOM 417 O HIS A 26 -10.606 9.434 7.578 1.00 0.00 O ATOM 418 CB HIS A 26 -13.272 8.415 7.943 1.00 0.00 C ATOM 419 CG HIS A 26 -14.555 7.826 8.467 1.00 0.00 C ATOM 420 ND1 HIS A 26 -15.777 8.021 7.869 1.00 0.00 N ATOM 421 CD2 HIS A 26 -14.782 6.990 9.504 1.00 0.00 C ATOM 422 CE1 HIS A 26 -16.699 7.330 8.510 1.00 0.00 C ATOM 423 NE2 HIS A 26 -16.120 6.695 9.504 1.00 0.00 N ATOM 0 H HIS A 26 -12.589 11.423 7.746 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.985 9.432 9.823 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.441 8.764 6.924 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.523 7.625 7.889 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -14.045 6.623 10.203 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -17.749 7.292 8.261 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -16.591 6.081 10.169 1.00 0.00 H new ATOM 432 N ASP A 27 -10.459 9.921 9.786 1.00 0.00 N ATOM 433 CA ASP A 27 -8.981 9.899 9.842 1.00 0.00 C ATOM 434 C ASP A 27 -8.505 8.446 10.039 1.00 0.00 C ATOM 435 O ASP A 27 -9.143 7.689 10.784 1.00 0.00 O ATOM 436 CB ASP A 27 -8.465 10.797 10.995 1.00 0.00 C ATOM 437 CG ASP A 27 -6.927 10.883 11.052 1.00 0.00 C ATOM 438 OD1 ASP A 27 -6.294 10.046 11.727 1.00 0.00 O ATOM 439 OD2 ASP A 27 -6.341 11.771 10.388 1.00 0.00 O ATOM 0 H ASP A 27 -10.902 10.175 10.669 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.580 10.290 8.907 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.875 11.800 10.878 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.837 10.410 11.944 1.00 0.00 H new ATOM 444 N ASP A 28 -7.382 8.091 9.378 1.00 0.00 N ATOM 445 CA ASP A 28 -6.776 6.740 9.396 1.00 0.00 C ATOM 446 C ASP A 28 -7.661 5.716 8.657 1.00 0.00 C ATOM 447 O ASP A 28 -8.530 5.064 9.252 1.00 0.00 O ATOM 448 CB ASP A 28 -6.393 6.287 10.840 1.00 0.00 C ATOM 449 CG ASP A 28 -5.674 4.931 10.891 1.00 0.00 C ATOM 450 OD1 ASP A 28 -4.475 4.863 10.533 1.00 0.00 O ATOM 451 OD2 ASP A 28 -6.297 3.921 11.278 1.00 0.00 O ATOM 0 H ASP A 28 -6.858 8.751 8.803 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.837 6.793 8.844 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.753 7.045 11.291 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.297 6.232 11.446 1.00 0.00 H new ATOM 456 N HIS A 29 -7.456 5.634 7.336 1.00 0.00 N ATOM 457 CA HIS A 29 -8.080 4.630 6.473 1.00 0.00 C ATOM 458 C HIS A 29 -7.013 4.211 5.458 1.00 0.00 C ATOM 459 O HIS A 29 -6.810 4.871 4.434 1.00 0.00 O ATOM 460 CB HIS A 29 -9.336 5.214 5.800 1.00 0.00 C ATOM 461 CG HIS A 29 -10.081 4.241 4.905 1.00 0.00 C ATOM 462 ND1 HIS A 29 -11.086 3.414 5.356 1.00 0.00 N ATOM 463 CD2 HIS A 29 -9.998 4.012 3.570 1.00 0.00 C ATOM 464 CE1 HIS A 29 -11.584 2.733 4.348 1.00 0.00 C ATOM 465 NE2 HIS A 29 -10.946 3.075 3.250 1.00 0.00 N ATOM 0 H HIS A 29 -6.842 6.274 6.832 1.00 0.00 H new ATOM 0 HA HIS A 29 -8.418 3.759 7.034 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -10.016 5.569 6.575 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.045 6.082 5.209 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -11.397 3.341 6.325 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.310 4.483 2.884 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.385 2.011 4.411 1.00 0.00 H new ATOM 474 N VAL A 30 -6.286 3.146 5.804 1.00 0.00 N ATOM 475 CA VAL A 30 -5.040 2.758 5.129 1.00 0.00 C ATOM 476 C VAL A 30 -5.244 1.452 4.347 1.00 0.00 C ATOM 477 O VAL A 30 -5.827 0.499 4.879 1.00 0.00 O ATOM 478 CB VAL A 30 -3.891 2.574 6.193 1.00 0.00 C ATOM 479 CG1 VAL A 30 -2.543 2.274 5.514 1.00 0.00 C ATOM 480 CG2 VAL A 30 -3.790 3.805 7.133 1.00 0.00 C ATOM 0 H VAL A 30 -6.546 2.521 6.567 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.758 3.545 4.429 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.147 1.712 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.772 2.153 6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.625 1.357 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.276 3.100 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.989 3.647 7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.576 4.697 6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.734 3.937 7.662 1.00 0.00 H new ATOM 490 N VAL A 31 -4.773 1.413 3.086 1.00 0.00 N ATOM 491 CA VAL A 31 -4.797 0.195 2.251 1.00 0.00 C ATOM 492 C VAL A 31 -3.359 -0.329 2.104 1.00 0.00 C ATOM 493 O VAL A 31 -2.432 0.460 1.921 1.00 0.00 O ATOM 494 CB VAL A 31 -5.446 0.450 0.836 1.00 0.00 C ATOM 495 CG1 VAL A 31 -4.643 1.478 -0.004 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.650 -0.888 0.076 1.00 0.00 C ATOM 0 H VAL A 31 -4.366 2.222 2.618 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.421 -0.550 2.744 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.428 0.894 1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.130 1.619 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.605 2.430 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.630 1.108 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.099 -0.689 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.686 -1.379 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.308 -1.537 0.653 1.00 0.00 H new ATOM 506 N SER A 32 -3.173 -1.652 2.217 1.00 0.00 N ATOM 507 CA SER A 32 -1.844 -2.280 2.164 1.00 0.00 C ATOM 508 C SER A 32 -1.711 -3.150 0.903 1.00 0.00 C ATOM 509 O SER A 32 -2.654 -3.854 0.524 1.00 0.00 O ATOM 510 CB SER A 32 -1.627 -3.140 3.426 1.00 0.00 C ATOM 511 OG SER A 32 -1.784 -2.367 4.610 1.00 0.00 O ATOM 0 H SER A 32 -3.937 -2.315 2.347 1.00 0.00 H new ATOM 0 HA SER A 32 -1.085 -1.499 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.337 -3.967 3.432 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.629 -3.577 3.404 1.00 0.00 H new ATOM 0 HG SER A 32 -1.643 -2.937 5.394 1.00 0.00 H new ATOM 517 N LEU A 33 -0.543 -3.056 0.257 1.00 0.00 N ATOM 518 CA LEU A 33 -0.142 -3.950 -0.844 1.00 0.00 C ATOM 519 C LEU A 33 0.787 -5.040 -0.278 1.00 0.00 C ATOM 520 O LEU A 33 1.823 -4.723 0.294 1.00 0.00 O ATOM 521 CB LEU A 33 0.595 -3.152 -1.950 1.00 0.00 C ATOM 522 CG LEU A 33 -0.216 -2.039 -2.658 1.00 0.00 C ATOM 523 CD1 LEU A 33 0.671 -1.309 -3.687 1.00 0.00 C ATOM 524 CD2 LEU A 33 -1.507 -2.594 -3.313 1.00 0.00 C ATOM 0 H LEU A 33 0.159 -2.352 0.483 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.029 -4.405 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.483 -2.699 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.939 -3.857 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.534 -1.319 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.091 -0.528 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.525 -0.861 -3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.026 -2.021 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.047 -1.781 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.244 -3.349 -4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.140 -3.043 -2.547 1.00 0.00 H new ATOM 536 N ILE A 34 0.416 -6.314 -0.472 1.00 0.00 N ATOM 537 CA ILE A 34 1.111 -7.476 0.118 1.00 0.00 C ATOM 538 C ILE A 34 2.036 -8.091 -0.949 1.00 0.00 C ATOM 539 O ILE A 34 1.568 -8.729 -1.896 1.00 0.00 O ATOM 540 CB ILE A 34 0.082 -8.559 0.676 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.680 -8.047 1.959 1.00 0.00 C ATOM 542 CG2 ILE A 34 0.776 -9.919 0.972 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.662 -6.890 1.752 1.00 0.00 C ATOM 0 H ILE A 34 -0.384 -6.573 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 34 1.703 -7.141 0.970 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.653 -8.715 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.227 -8.886 2.389 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.061 -7.738 2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.040 -10.628 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.218 -10.309 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.557 -9.774 1.718 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.122 -6.628 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.128 -6.026 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.436 -7.191 1.046 1.00 0.00 H new ATOM 555 N PHE A 35 3.347 -7.858 -0.803 1.00 0.00 N ATOM 556 CA PHE A 35 4.381 -8.396 -1.701 1.00 0.00 C ATOM 557 C PHE A 35 4.998 -9.673 -1.094 1.00 0.00 C ATOM 558 O PHE A 35 5.735 -9.608 -0.098 1.00 0.00 O ATOM 559 CB PHE A 35 5.479 -7.327 -1.936 1.00 0.00 C ATOM 560 CG PHE A 35 4.952 -6.001 -2.490 1.00 0.00 C ATOM 561 CD1 PHE A 35 4.522 -4.984 -1.635 1.00 0.00 C ATOM 562 CD2 PHE A 35 4.893 -5.771 -3.861 1.00 0.00 C ATOM 563 CE1 PHE A 35 4.062 -3.784 -2.140 1.00 0.00 C ATOM 564 CE2 PHE A 35 4.436 -4.565 -4.363 1.00 0.00 C ATOM 565 CZ PHE A 35 4.016 -3.574 -3.503 1.00 0.00 C ATOM 0 H PHE A 35 3.725 -7.284 -0.049 1.00 0.00 H new ATOM 0 HA PHE A 35 3.926 -8.651 -2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.993 -7.136 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.220 -7.729 -2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.550 -5.138 -0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.209 -6.546 -4.544 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.737 -3.006 -1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.409 -4.401 -5.430 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.652 -2.636 -3.894 1.00 0.00 H new ATOM 575 N THR A 36 4.658 -10.830 -1.686 1.00 0.00 N ATOM 576 CA THR A 36 5.235 -12.128 -1.303 1.00 0.00 C ATOM 577 C THR A 36 6.580 -12.326 -2.027 1.00 0.00 C ATOM 578 O THR A 36 6.622 -12.603 -3.237 1.00 0.00 O ATOM 579 CB THR A 36 4.261 -13.312 -1.639 1.00 0.00 C ATOM 580 OG1 THR A 36 2.932 -12.994 -1.179 1.00 0.00 O ATOM 581 CG2 THR A 36 4.723 -14.639 -0.994 1.00 0.00 C ATOM 0 H THR A 36 3.976 -10.891 -2.442 1.00 0.00 H new ATOM 0 HA THR A 36 5.394 -12.127 -0.225 1.00 0.00 H new ATOM 0 HB THR A 36 4.264 -13.445 -2.721 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.326 -13.734 -1.392 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.021 -15.432 -1.251 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.715 -14.898 -1.364 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.759 -14.524 0.089 1.00 0.00 H new ATOM 589 N GLN A 37 7.668 -12.130 -1.279 1.00 0.00 N ATOM 590 CA GLN A 37 9.027 -12.392 -1.750 1.00 0.00 C ATOM 591 C GLN A 37 9.346 -13.866 -1.518 1.00 0.00 C ATOM 592 O GLN A 37 9.507 -14.291 -0.379 1.00 0.00 O ATOM 593 CB GLN A 37 10.036 -11.499 -0.984 1.00 0.00 C ATOM 594 CG GLN A 37 11.530 -11.784 -1.269 1.00 0.00 C ATOM 595 CD GLN A 37 12.450 -11.024 -0.311 1.00 0.00 C ATOM 596 OE1 GLN A 37 12.892 -9.848 -0.703 1.00 0.00 O flip ATOM 597 NE2 GLN A 37 12.760 -11.505 0.773 1.00 0.00 N flip ATOM 0 H GLN A 37 7.629 -11.782 -0.321 1.00 0.00 H new ATOM 0 HA GLN A 37 9.103 -12.161 -2.812 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.830 -10.457 -1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.859 -11.617 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.718 -12.854 -1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.764 -11.503 -2.296 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.400 -12.419 1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.378 -10.991 1.401 1.00 0.00 H new ATOM 606 N SER A 38 9.398 -14.644 -2.593 1.00 0.00 N ATOM 607 CA SER A 38 9.729 -16.061 -2.508 1.00 0.00 C ATOM 608 C SER A 38 11.238 -16.255 -2.680 1.00 0.00 C ATOM 609 O SER A 38 11.872 -15.577 -3.503 1.00 0.00 O ATOM 610 CB SER A 38 8.923 -16.847 -3.560 1.00 0.00 C ATOM 611 OG SER A 38 9.025 -16.248 -4.838 1.00 0.00 O ATOM 0 H SER A 38 9.214 -14.314 -3.540 1.00 0.00 H new ATOM 0 HA SER A 38 9.458 -16.447 -1.525 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.286 -17.874 -3.607 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.876 -16.893 -3.260 1.00 0.00 H new ATOM 0 HG SER A 38 8.391 -15.503 -4.902 1.00 0.00 H new ATOM 617 N GLY A 39 11.799 -17.167 -1.879 1.00 0.00 N ATOM 618 CA GLY A 39 13.221 -17.532 -1.969 1.00 0.00 C ATOM 619 C GLY A 39 13.455 -18.935 -1.442 1.00 0.00 C ATOM 620 O GLY A 39 12.486 -19.674 -1.198 1.00 0.00 O ATOM 0 H GLY A 39 11.287 -17.671 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.552 -17.469 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.820 -16.821 -1.400 1.00 0.00 H new ATOM 624 N LYS A 40 14.728 -19.304 -1.215 1.00 0.00 N ATOM 625 CA LYS A 40 15.100 -20.674 -0.788 1.00 0.00 C ATOM 626 C LYS A 40 16.201 -20.630 0.290 1.00 0.00 C ATOM 627 O LYS A 40 17.146 -19.842 0.188 1.00 0.00 O ATOM 628 CB LYS A 40 15.502 -21.520 -2.036 1.00 0.00 C ATOM 629 CG LYS A 40 16.694 -20.998 -2.894 1.00 0.00 C ATOM 630 CD LYS A 40 18.079 -21.515 -2.415 1.00 0.00 C ATOM 631 CE LYS A 40 19.239 -21.057 -3.310 1.00 0.00 C ATOM 632 NZ LYS A 40 19.102 -21.498 -4.712 1.00 0.00 N ATOM 0 H LYS A 40 15.523 -18.673 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 40 14.242 -21.162 -0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.744 -22.527 -1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.629 -21.603 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.543 -21.297 -3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.696 -19.908 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.256 -21.169 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.062 -22.604 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.303 -19.969 -3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.175 -21.441 -2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.981 -21.292 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.917 -22.521 -4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.311 -20.992 -5.159 1.00 0.00 H new ATOM 646 N ARG A 41 16.053 -21.468 1.350 1.00 0.00 N ATOM 647 CA ARG A 41 16.977 -21.473 2.501 1.00 0.00 C ATOM 648 C ARG A 41 17.923 -22.675 2.414 1.00 0.00 C ATOM 649 O ARG A 41 17.481 -23.830 2.348 1.00 0.00 O ATOM 650 CB ARG A 41 16.210 -21.516 3.860 1.00 0.00 C ATOM 651 CG ARG A 41 17.121 -21.418 5.108 1.00 0.00 C ATOM 652 CD ARG A 41 16.357 -21.508 6.450 1.00 0.00 C ATOM 653 NE ARG A 41 15.419 -20.384 6.671 1.00 0.00 N ATOM 654 CZ ARG A 41 14.967 -19.969 7.875 1.00 0.00 C ATOM 655 NH1 ARG A 41 15.352 -20.571 9.004 1.00 0.00 N ATOM 656 NH2 ARG A 41 14.139 -18.935 7.930 1.00 0.00 N ATOM 0 H ARG A 41 15.297 -22.149 1.425 1.00 0.00 H new ATOM 0 HA ARG A 41 17.550 -20.546 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.491 -20.697 3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.639 -22.443 3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.862 -22.217 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.667 -20.475 5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.802 -22.446 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.077 -21.536 7.268 1.00 0.00 H new ATOM 0 HE ARG A 41 15.087 -19.882 5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.999 -21.359 8.967 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.999 -20.243 9.903 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.852 -18.465 7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.789 -18.609 8.831 1.00 0.00 H new ATOM 670 N ASP A 42 19.215 -22.372 2.398 1.00 0.00 N ATOM 671 CA ASP A 42 20.295 -23.343 2.531 1.00 0.00 C ATOM 672 C ASP A 42 20.377 -23.786 4.000 1.00 0.00 C ATOM 673 O ASP A 42 20.678 -22.976 4.862 1.00 0.00 O ATOM 674 CB ASP A 42 21.596 -22.649 2.078 1.00 0.00 C ATOM 675 CG ASP A 42 22.859 -23.469 2.297 1.00 0.00 C ATOM 676 OD1 ASP A 42 23.427 -23.380 3.393 1.00 0.00 O ATOM 677 OD2 ASP A 42 23.290 -24.194 1.382 1.00 0.00 O ATOM 0 H ASP A 42 19.551 -21.415 2.289 1.00 0.00 H new ATOM 0 HA ASP A 42 20.128 -24.229 1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.514 -22.408 1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 42 21.694 -21.704 2.613 1.00 0.00 H new ATOM 682 N LEU A 43 20.063 -25.063 4.270 1.00 0.00 N ATOM 683 CA LEU A 43 19.990 -25.615 5.644 1.00 0.00 C ATOM 684 C LEU A 43 21.346 -26.080 6.209 1.00 0.00 C ATOM 685 O LEU A 43 21.405 -26.466 7.381 1.00 0.00 O ATOM 686 CB LEU A 43 18.943 -26.762 5.688 1.00 0.00 C ATOM 687 CG LEU A 43 17.472 -26.309 5.440 1.00 0.00 C ATOM 688 CD1 LEU A 43 16.500 -27.514 5.426 1.00 0.00 C ATOM 689 CD2 LEU A 43 17.050 -25.237 6.479 1.00 0.00 C ATOM 0 H LEU A 43 19.851 -25.748 3.544 1.00 0.00 H new ATOM 0 HA LEU A 43 19.678 -24.798 6.295 1.00 0.00 H new ATOM 0 HB2 LEU A 43 19.210 -27.509 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.000 -27.251 6.661 1.00 0.00 H new ATOM 0 HG LEU A 43 17.419 -25.853 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.484 -27.160 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.786 -28.203 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.544 -28.028 6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.020 -24.933 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.127 -25.654 7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.706 -24.370 6.394 1.00 0.00 H new ATOM 701 N THR A 44 22.427 -26.037 5.409 1.00 0.00 N ATOM 702 CA THR A 44 23.755 -26.499 5.883 1.00 0.00 C ATOM 703 C THR A 44 24.515 -25.354 6.595 1.00 0.00 C ATOM 704 O THR A 44 25.216 -25.591 7.593 1.00 0.00 O ATOM 705 CB THR A 44 24.623 -27.163 4.756 1.00 0.00 C ATOM 706 OG1 THR A 44 25.906 -27.550 5.268 1.00 0.00 O ATOM 707 CG2 THR A 44 24.828 -26.267 3.544 1.00 0.00 C ATOM 0 H THR A 44 22.415 -25.695 4.448 1.00 0.00 H new ATOM 0 HA THR A 44 23.568 -27.290 6.610 1.00 0.00 H new ATOM 0 HB THR A 44 24.062 -28.038 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 44 26.433 -27.963 4.552 1.00 0.00 H new ATOM 0 HG21 THR A 44 25.436 -26.788 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 44 23.861 -26.018 3.108 1.00 0.00 H new ATOM 0 HG23 THR A 44 25.334 -25.351 3.850 1.00 0.00 H new ATOM 715 N ASN A 45 24.355 -24.115 6.091 1.00 0.00 N ATOM 716 CA ASN A 45 24.870 -22.896 6.769 1.00 0.00 C ATOM 717 C ASN A 45 23.718 -22.210 7.520 1.00 0.00 C ATOM 718 O ASN A 45 23.928 -21.594 8.571 1.00 0.00 O ATOM 719 CB ASN A 45 25.472 -21.862 5.759 1.00 0.00 C ATOM 720 CG ASN A 45 26.575 -22.420 4.856 1.00 0.00 C ATOM 721 OD1 ASN A 45 27.735 -22.519 5.259 1.00 0.00 O ATOM 722 ND2 ASN A 45 26.237 -22.715 3.613 1.00 0.00 N ATOM 0 H ASN A 45 23.872 -23.925 5.213 1.00 0.00 H new ATOM 0 HA ASN A 45 25.660 -23.215 7.449 1.00 0.00 H new ATOM 0 HB2 ASN A 45 24.668 -21.476 5.132 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.872 -21.017 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 45 26.946 -23.036 2.954 1.00 0.00 H new ATOM 0 HD22 ASN A 45 25.267 -22.622 3.312 1.00 0.00 H new ATOM 729 N GLY A 46 22.487 -22.349 6.970 1.00 0.00 N ATOM 730 CA GLY A 46 21.306 -21.634 7.488 1.00 0.00 C ATOM 731 C GLY A 46 21.057 -20.328 6.739 1.00 0.00 C ATOM 732 O GLY A 46 20.130 -19.579 7.065 1.00 0.00 O ATOM 0 H GLY A 46 22.291 -22.950 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.428 -22.274 7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 46 21.445 -21.423 8.548 1.00 0.00 H new ATOM 736 N LYS A 47 21.897 -20.069 5.717 1.00 0.00 N ATOM 737 CA LYS A 47 21.856 -18.840 4.909 1.00 0.00 C ATOM 738 C LYS A 47 20.613 -18.846 3.996 1.00 0.00 C ATOM 739 O LYS A 47 20.302 -19.862 3.371 1.00 0.00 O ATOM 740 CB LYS A 47 23.171 -18.705 4.083 1.00 0.00 C ATOM 741 CG LYS A 47 23.463 -19.860 3.125 1.00 0.00 C ATOM 742 CD LYS A 47 24.775 -19.696 2.321 1.00 0.00 C ATOM 743 CE LYS A 47 24.678 -18.637 1.205 1.00 0.00 C ATOM 744 NZ LYS A 47 24.672 -17.241 1.710 1.00 0.00 N ATOM 0 H LYS A 47 22.630 -20.717 5.429 1.00 0.00 H new ATOM 0 HA LYS A 47 21.781 -17.975 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.126 -17.780 3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.007 -18.609 4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.512 -20.788 3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.631 -19.959 2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.579 -19.422 3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.045 -20.655 1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 47 25.517 -18.764 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 47 23.769 -18.810 0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 25.290 -16.654 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 23.703 -16.865 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.019 -17.225 2.690 1.00 0.00 H new ATOM 758 N GLU A 48 19.882 -17.721 3.954 1.00 0.00 N ATOM 759 CA GLU A 48 18.652 -17.582 3.150 1.00 0.00 C ATOM 760 C GLU A 48 18.943 -16.786 1.880 1.00 0.00 C ATOM 761 O GLU A 48 19.263 -15.592 1.947 1.00 0.00 O ATOM 762 CB GLU A 48 17.560 -16.878 3.983 1.00 0.00 C ATOM 763 CG GLU A 48 17.054 -17.698 5.166 1.00 0.00 C ATOM 764 CD GLU A 48 15.945 -16.995 5.960 1.00 0.00 C ATOM 765 OE1 GLU A 48 16.262 -16.202 6.869 1.00 0.00 O ATOM 766 OE2 GLU A 48 14.752 -17.238 5.678 1.00 0.00 O ATOM 0 H GLU A 48 20.125 -16.879 4.476 1.00 0.00 H new ATOM 0 HA GLU A 48 18.297 -18.573 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.954 -15.931 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.718 -16.641 3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.680 -18.655 4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.888 -17.914 5.833 1.00 0.00 H new ATOM 773 N ILE A 49 18.828 -17.458 0.734 1.00 0.00 N ATOM 774 CA ILE A 49 19.127 -16.868 -0.572 1.00 0.00 C ATOM 775 C ILE A 49 17.825 -16.322 -1.169 1.00 0.00 C ATOM 776 O ILE A 49 16.951 -17.094 -1.597 1.00 0.00 O ATOM 777 CB ILE A 49 19.811 -17.885 -1.578 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.162 -18.469 -1.010 1.00 0.00 C ATOM 779 CG2 ILE A 49 20.030 -17.214 -2.959 1.00 0.00 C ATOM 780 CD1 ILE A 49 21.013 -19.545 0.066 1.00 0.00 C ATOM 0 H ILE A 49 18.524 -18.430 0.685 1.00 0.00 H new ATOM 0 HA ILE A 49 19.851 -16.068 -0.419 1.00 0.00 H new ATOM 0 HB ILE A 49 19.132 -18.729 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.734 -18.885 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.748 -17.647 -0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 49 20.500 -17.925 -3.638 1.00 0.00 H new ATOM 0 HG22 ILE A 49 19.069 -16.902 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.675 -16.343 -2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.000 -19.878 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.473 -19.134 0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.459 -20.391 -0.340 1.00 0.00 H new ATOM 792 N TRP A 50 17.688 -14.989 -1.120 1.00 0.00 N ATOM 793 CA TRP A 50 16.601 -14.257 -1.772 1.00 0.00 C ATOM 794 C TRP A 50 17.178 -13.607 -3.027 1.00 0.00 C ATOM 795 O TRP A 50 18.118 -12.811 -2.927 1.00 0.00 O ATOM 796 CB TRP A 50 16.033 -13.177 -0.818 1.00 0.00 C ATOM 797 CG TRP A 50 15.657 -13.718 0.547 1.00 0.00 C ATOM 798 CD1 TRP A 50 16.435 -13.740 1.668 1.00 0.00 C ATOM 799 CD2 TRP A 50 14.424 -14.336 0.920 1.00 0.00 C ATOM 800 NE1 TRP A 50 15.744 -14.297 2.711 1.00 0.00 N ATOM 801 CE2 TRP A 50 14.513 -14.680 2.275 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.262 -14.633 0.228 1.00 0.00 C ATOM 803 CZ2 TRP A 50 13.460 -15.275 2.963 1.00 0.00 C ATOM 804 CZ3 TRP A 50 12.226 -15.232 0.898 1.00 0.00 C ATOM 805 CH2 TRP A 50 12.327 -15.555 2.250 1.00 0.00 C ATOM 0 H TRP A 50 18.339 -14.385 -0.619 1.00 0.00 H new ATOM 0 HA TRP A 50 15.785 -14.931 -2.031 1.00 0.00 H new ATOM 0 HB2 TRP A 50 16.772 -12.385 -0.696 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.154 -12.724 -1.276 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.449 -13.372 1.724 1.00 0.00 H new ATOM 0 HE1 TRP A 50 16.096 -14.407 3.662 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.173 -14.397 -0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 13.534 -15.506 4.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 11.313 -15.458 0.367 1.00 0.00 H new ATOM 0 HH2 TRP A 50 11.495 -16.035 2.744 1.00 0.00 H new ATOM 816 N ASP A 51 16.630 -13.966 -4.190 1.00 0.00 N ATOM 817 CA ASP A 51 17.123 -13.480 -5.491 1.00 0.00 C ATOM 818 C ASP A 51 16.791 -12.005 -5.676 1.00 0.00 C ATOM 819 O ASP A 51 15.641 -11.611 -5.480 1.00 0.00 O ATOM 820 CB ASP A 51 16.521 -14.286 -6.670 1.00 0.00 C ATOM 821 CG ASP A 51 17.038 -15.722 -6.697 1.00 0.00 C ATOM 822 OD1 ASP A 51 18.111 -15.960 -7.309 1.00 0.00 O ATOM 823 OD2 ASP A 51 16.399 -16.608 -6.087 1.00 0.00 O ATOM 0 H ASP A 51 15.834 -14.600 -4.262 1.00 0.00 H new ATOM 0 HA ASP A 51 18.204 -13.616 -5.492 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.434 -14.292 -6.589 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.767 -13.793 -7.611 1.00 0.00 H new ATOM 828 N SER A 52 17.805 -11.216 -6.075 1.00 0.00 N ATOM 829 CA SER A 52 17.646 -9.792 -6.456 1.00 0.00 C ATOM 830 C SER A 52 16.768 -9.673 -7.715 1.00 0.00 C ATOM 831 O SER A 52 16.088 -8.665 -7.917 1.00 0.00 O ATOM 832 CB SER A 52 19.041 -9.153 -6.697 1.00 0.00 C ATOM 833 OG SER A 52 19.783 -9.894 -7.653 1.00 0.00 O ATOM 0 H SER A 52 18.767 -11.547 -6.144 1.00 0.00 H new ATOM 0 HA SER A 52 17.153 -9.257 -5.644 1.00 0.00 H new ATOM 0 HB2 SER A 52 18.920 -8.126 -7.042 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.592 -9.110 -5.758 1.00 0.00 H new ATOM 0 HG SER A 52 20.656 -9.471 -7.789 1.00 0.00 H new ATOM 839 N LYS A 53 16.770 -10.747 -8.532 1.00 0.00 N ATOM 840 CA LYS A 53 15.947 -10.848 -9.755 1.00 0.00 C ATOM 841 C LYS A 53 14.445 -10.845 -9.419 1.00 0.00 C ATOM 842 O LYS A 53 13.622 -10.525 -10.284 1.00 0.00 O ATOM 843 CB LYS A 53 16.285 -12.148 -10.523 1.00 0.00 C ATOM 844 CG LYS A 53 17.769 -12.323 -10.883 1.00 0.00 C ATOM 845 CD LYS A 53 18.034 -13.612 -11.700 1.00 0.00 C ATOM 846 CE LYS A 53 19.532 -13.893 -11.889 1.00 0.00 C ATOM 847 NZ LYS A 53 20.255 -12.753 -12.513 1.00 0.00 N ATOM 0 H LYS A 53 17.345 -11.572 -8.361 1.00 0.00 H new ATOM 0 HA LYS A 53 16.173 -9.980 -10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.970 -13.000 -9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.699 -12.172 -11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 53 18.105 -11.458 -11.456 1.00 0.00 H new ATOM 0 HG3 LYS A 53 18.361 -12.349 -9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.570 -14.459 -11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.559 -13.523 -12.677 1.00 0.00 H new ATOM 0 HE2 LYS A 53 19.981 -14.116 -10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.656 -14.780 -12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 21.242 -13.026 -12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 19.795 -12.499 -13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 20.235 -11.936 -11.870 1.00 0.00 H new ATOM 861 N TRP A 54 14.104 -11.215 -8.172 1.00 0.00 N ATOM 862 CA TRP A 54 12.716 -11.212 -7.707 1.00 0.00 C ATOM 863 C TRP A 54 12.249 -9.765 -7.460 1.00 0.00 C ATOM 864 O TRP A 54 12.911 -8.992 -6.753 1.00 0.00 O ATOM 865 CB TRP A 54 12.536 -12.056 -6.418 1.00 0.00 C ATOM 866 CG TRP A 54 11.081 -12.239 -6.037 1.00 0.00 C ATOM 867 CD1 TRP A 54 10.364 -11.557 -5.087 1.00 0.00 C ATOM 868 CD2 TRP A 54 10.161 -13.150 -6.648 1.00 0.00 C ATOM 869 NE1 TRP A 54 9.065 -11.995 -5.077 1.00 0.00 N ATOM 870 CE2 TRP A 54 8.919 -12.974 -6.022 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.278 -14.101 -7.666 1.00 0.00 C ATOM 872 CZ2 TRP A 54 7.801 -13.713 -6.380 1.00 0.00 C ATOM 873 CZ3 TRP A 54 9.169 -14.834 -8.023 1.00 0.00 C ATOM 874 CH2 TRP A 54 7.943 -14.637 -7.382 1.00 0.00 C ATOM 0 H TRP A 54 14.778 -11.520 -7.470 1.00 0.00 H new ATOM 0 HA TRP A 54 12.104 -11.667 -8.486 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.995 -13.034 -6.562 1.00 0.00 H new ATOM 0 HB3 TRP A 54 13.065 -11.573 -5.596 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.764 -10.788 -4.442 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.327 -11.648 -4.465 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.223 -14.258 -8.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.852 -13.565 -5.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.247 -15.571 -8.809 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.089 -15.226 -7.683 1.00 0.00 H new ATOM 885 N SER A 55 11.112 -9.428 -8.081 1.00 0.00 N ATOM 886 CA SER A 55 10.415 -8.158 -7.899 1.00 0.00 C ATOM 887 C SER A 55 8.928 -8.344 -8.198 1.00 0.00 C ATOM 888 O SER A 55 8.551 -9.114 -9.094 1.00 0.00 O ATOM 889 CB SER A 55 11.017 -7.073 -8.810 1.00 0.00 C ATOM 890 OG SER A 55 11.126 -7.527 -10.149 1.00 0.00 O ATOM 0 H SER A 55 10.643 -10.050 -8.740 1.00 0.00 H new ATOM 0 HA SER A 55 10.534 -7.833 -6.865 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.393 -6.180 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.002 -6.789 -8.439 1.00 0.00 H new ATOM 0 HG SER A 55 11.510 -6.817 -10.705 1.00 0.00 H new ATOM 896 N LEU A 56 8.097 -7.631 -7.448 1.00 0.00 N ATOM 897 CA LEU A 56 6.640 -7.714 -7.545 1.00 0.00 C ATOM 898 C LEU A 56 6.112 -6.270 -7.558 1.00 0.00 C ATOM 899 O LEU A 56 6.460 -5.479 -6.677 1.00 0.00 O ATOM 900 CB LEU A 56 6.077 -8.539 -6.328 1.00 0.00 C ATOM 901 CG LEU A 56 4.749 -9.343 -6.554 1.00 0.00 C ATOM 902 CD1 LEU A 56 4.418 -10.195 -5.303 1.00 0.00 C ATOM 903 CD2 LEU A 56 3.562 -8.426 -6.948 1.00 0.00 C ATOM 0 H LEU A 56 8.419 -6.968 -6.743 1.00 0.00 H new ATOM 0 HA LEU A 56 6.318 -8.228 -8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.847 -9.243 -6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.917 -7.850 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 56 4.909 -10.013 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.494 -10.748 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.231 -10.896 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.296 -9.541 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.667 -9.031 -7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.384 -7.700 -6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.799 -7.902 -7.874 1.00 0.00 H new ATOM 915 N THR A 57 5.322 -5.917 -8.582 1.00 0.00 N ATOM 916 CA THR A 57 4.709 -4.583 -8.689 1.00 0.00 C ATOM 917 C THR A 57 3.210 -4.687 -8.417 1.00 0.00 C ATOM 918 O THR A 57 2.516 -5.512 -9.031 1.00 0.00 O ATOM 919 CB THR A 57 4.939 -3.943 -10.094 1.00 0.00 C ATOM 920 OG1 THR A 57 6.333 -3.975 -10.402 1.00 0.00 O ATOM 921 CG2 THR A 57 4.434 -2.485 -10.146 1.00 0.00 C ATOM 0 H THR A 57 5.091 -6.542 -9.354 1.00 0.00 H new ATOM 0 HA THR A 57 5.185 -3.940 -7.949 1.00 0.00 H new ATOM 0 HB THR A 57 4.374 -4.519 -10.827 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.696 -3.065 -10.370 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.611 -2.074 -11.140 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.366 -2.462 -9.929 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.967 -1.889 -9.406 1.00 0.00 H new ATOM 929 N GLN A 58 2.716 -3.860 -7.490 1.00 0.00 N ATOM 930 CA GLN A 58 1.289 -3.758 -7.178 1.00 0.00 C ATOM 931 C GLN A 58 0.909 -2.288 -7.182 1.00 0.00 C ATOM 932 O GLN A 58 1.679 -1.445 -6.726 1.00 0.00 O ATOM 933 CB GLN A 58 0.962 -4.416 -5.808 1.00 0.00 C ATOM 934 CG GLN A 58 1.183 -5.935 -5.781 1.00 0.00 C ATOM 935 CD GLN A 58 0.986 -6.569 -4.409 1.00 0.00 C ATOM 936 OE1 GLN A 58 1.241 -5.958 -3.380 1.00 0.00 O ATOM 937 NE2 GLN A 58 0.553 -7.813 -4.392 1.00 0.00 N ATOM 0 H GLN A 58 3.301 -3.238 -6.931 1.00 0.00 H new ATOM 0 HA GLN A 58 0.709 -4.294 -7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.580 -3.955 -5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.076 -4.205 -5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.498 -6.403 -6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.194 -6.150 -6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.349 -8.294 -5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.421 -8.295 -3.503 1.00 0.00 H new ATOM 946 N THR A 59 -0.268 -2.001 -7.723 1.00 0.00 N ATOM 947 CA THR A 59 -0.766 -0.636 -7.903 1.00 0.00 C ATOM 948 C THR A 59 -1.795 -0.272 -6.814 1.00 0.00 C ATOM 949 O THR A 59 -2.698 -1.065 -6.530 1.00 0.00 O ATOM 950 CB THR A 59 -1.416 -0.523 -9.315 1.00 0.00 C ATOM 951 OG1 THR A 59 -0.440 -0.831 -10.317 1.00 0.00 O ATOM 952 CG2 THR A 59 -1.991 0.857 -9.591 1.00 0.00 C ATOM 0 H THR A 59 -0.915 -2.716 -8.055 1.00 0.00 H new ATOM 0 HA THR A 59 0.067 0.062 -7.817 1.00 0.00 H new ATOM 0 HB THR A 59 -2.242 -1.234 -9.343 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.849 -0.762 -11.205 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.430 0.875 -10.589 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.759 1.085 -8.852 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.197 1.601 -9.530 1.00 0.00 H new ATOM 960 N PHE A 60 -1.639 0.924 -6.199 1.00 0.00 N ATOM 961 CA PHE A 60 -2.693 1.531 -5.367 1.00 0.00 C ATOM 962 C PHE A 60 -3.814 2.031 -6.285 1.00 0.00 C ATOM 963 O PHE A 60 -3.668 3.054 -6.967 1.00 0.00 O ATOM 964 CB PHE A 60 -2.152 2.698 -4.502 1.00 0.00 C ATOM 965 CG PHE A 60 -1.243 2.273 -3.348 1.00 0.00 C ATOM 966 CD1 PHE A 60 -1.729 1.443 -2.338 1.00 0.00 C ATOM 967 CD2 PHE A 60 0.067 2.732 -3.245 1.00 0.00 C ATOM 968 CE1 PHE A 60 -0.930 1.084 -1.270 1.00 0.00 C ATOM 969 CE2 PHE A 60 0.865 2.366 -2.179 1.00 0.00 C ATOM 970 CZ PHE A 60 0.365 1.549 -1.193 1.00 0.00 C ATOM 0 H PHE A 60 -0.790 1.485 -6.267 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.071 0.774 -4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.602 3.384 -5.146 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.998 3.252 -4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.743 1.076 -2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.465 3.383 -4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.320 0.439 -0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.883 2.722 -2.120 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.988 1.271 -0.356 1.00 0.00 H new ATOM 980 N GLU A 61 -4.894 1.253 -6.330 1.00 0.00 N ATOM 981 CA GLU A 61 -6.064 1.516 -7.172 1.00 0.00 C ATOM 982 C GLU A 61 -7.318 1.040 -6.419 1.00 0.00 C ATOM 983 O GLU A 61 -7.264 0.017 -5.717 1.00 0.00 O ATOM 984 CB GLU A 61 -5.919 0.784 -8.542 1.00 0.00 C ATOM 985 CG GLU A 61 -5.708 -0.742 -8.427 1.00 0.00 C ATOM 986 CD GLU A 61 -5.545 -1.450 -9.781 1.00 0.00 C ATOM 987 OE1 GLU A 61 -6.553 -1.633 -10.494 1.00 0.00 O ATOM 988 OE2 GLU A 61 -4.420 -1.868 -10.126 1.00 0.00 O ATOM 0 H GLU A 61 -4.984 0.404 -5.771 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.149 2.583 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.812 0.972 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.078 1.216 -9.084 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.823 -0.932 -7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.557 -1.178 -7.900 1.00 0.00 H new ATOM 995 N ALA A 62 -8.414 1.805 -6.549 1.00 0.00 N ATOM 996 CA ALA A 62 -9.708 1.539 -5.871 1.00 0.00 C ATOM 997 C ALA A 62 -9.584 1.762 -4.346 1.00 0.00 C ATOM 998 O ALA A 62 -8.953 0.970 -3.638 1.00 0.00 O ATOM 999 CB ALA A 62 -10.270 0.130 -6.204 1.00 0.00 C ATOM 0 H ALA A 62 -8.434 2.640 -7.135 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.432 2.256 -6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.217 -0.016 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.429 0.047 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.559 -0.631 -5.883 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.192 2.845 -3.849 1.00 0.00 N ATOM 1006 CA LEU A 63 -10.062 3.265 -2.448 1.00 0.00 C ATOM 1007 C LEU A 63 -11.487 3.448 -1.862 1.00 0.00 C ATOM 1008 O LEU A 63 -12.169 4.407 -2.241 1.00 0.00 O ATOM 1009 CB LEU A 63 -9.220 4.583 -2.377 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.313 4.753 -1.117 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -9.121 4.762 0.206 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -7.205 3.672 -1.096 1.00 0.00 C ATOM 0 H LEU A 63 -10.789 3.456 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.539 2.514 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.588 4.634 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.904 5.430 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.841 5.733 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.439 4.883 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.831 5.589 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.661 3.821 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.583 3.806 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.662 2.683 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.589 3.765 -1.990 1.00 0.00 H new ATOM 1024 N PRO A 64 -11.966 2.516 -0.965 1.00 0.00 N ATOM 1025 CA PRO A 64 -13.346 2.566 -0.390 1.00 0.00 C ATOM 1026 C PRO A 64 -13.594 3.831 0.481 1.00 0.00 C ATOM 1027 O PRO A 64 -13.129 3.910 1.625 1.00 0.00 O ATOM 1028 CB PRO A 64 -13.439 1.246 0.431 1.00 0.00 C ATOM 1029 CG PRO A 64 -12.024 0.872 0.730 1.00 0.00 C ATOM 1030 CD PRO A 64 -11.215 1.332 -0.460 1.00 0.00 C ATOM 0 HA PRO A 64 -14.115 2.640 -1.159 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.010 1.392 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.942 0.463 -0.137 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.678 1.351 1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.927 -0.204 0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.197 1.596 -0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -11.140 0.553 -1.218 1.00 0.00 H new ATOM 1038 N SER A 65 -14.318 4.809 -0.099 1.00 0.00 N ATOM 1039 CA SER A 65 -14.610 6.109 0.534 1.00 0.00 C ATOM 1040 C SER A 65 -16.025 6.104 1.162 1.00 0.00 C ATOM 1041 O SER A 65 -16.971 5.617 0.525 1.00 0.00 O ATOM 1042 CB SER A 65 -14.470 7.240 -0.520 1.00 0.00 C ATOM 1043 OG SER A 65 -13.159 7.255 -1.070 1.00 0.00 O ATOM 0 H SER A 65 -14.721 4.716 -1.031 1.00 0.00 H new ATOM 0 HA SER A 65 -13.895 6.287 1.337 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.202 7.096 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.687 8.203 -0.058 1.00 0.00 H new ATOM 0 HG SER A 65 -13.204 7.050 -2.027 1.00 0.00 H new ATOM 1049 N PRO A 66 -16.194 6.605 2.440 1.00 0.00 N ATOM 1050 CA PRO A 66 -17.522 6.729 3.080 1.00 0.00 C ATOM 1051 C PRO A 66 -18.397 7.749 2.321 1.00 0.00 C ATOM 1052 O PRO A 66 -18.006 8.912 2.165 1.00 0.00 O ATOM 1053 CB PRO A 66 -17.188 7.211 4.525 1.00 0.00 C ATOM 1054 CG PRO A 66 -15.848 7.860 4.411 1.00 0.00 C ATOM 1055 CD PRO A 66 -15.119 7.065 3.358 1.00 0.00 C ATOM 0 HA PRO A 66 -18.093 5.801 3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.937 7.913 4.891 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.165 6.376 5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.940 8.907 4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.316 7.837 5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.383 7.676 2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.581 6.224 3.795 1.00 0.00 H new ATOM 1063 N VAL A 67 -19.555 7.290 1.820 1.00 0.00 N ATOM 1064 CA VAL A 67 -20.510 8.149 1.112 1.00 0.00 C ATOM 1065 C VAL A 67 -21.156 9.110 2.122 1.00 0.00 C ATOM 1066 O VAL A 67 -21.952 8.688 2.961 1.00 0.00 O ATOM 1067 CB VAL A 67 -21.604 7.285 0.371 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -22.664 8.188 -0.301 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -20.936 6.323 -0.653 1.00 0.00 C ATOM 0 H VAL A 67 -19.852 6.317 1.895 1.00 0.00 H new ATOM 0 HA VAL A 67 -19.985 8.725 0.350 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.123 6.676 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -23.405 7.567 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -23.156 8.798 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -22.179 8.837 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -21.705 5.735 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.384 6.904 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -20.251 5.655 -0.131 1.00 0.00 H new ATOM 1079 N ILE A 68 -20.762 10.394 2.051 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.298 11.451 2.918 1.00 0.00 C ATOM 1081 C ILE A 68 -22.315 12.270 2.114 1.00 0.00 C ATOM 1082 O ILE A 68 -21.942 12.922 1.130 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.168 12.400 3.469 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -18.983 11.576 4.048 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -20.741 13.350 4.556 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -17.838 12.413 4.568 1.00 0.00 C ATOM 0 H ILE A 68 -20.061 10.725 1.388 1.00 0.00 H new ATOM 0 HA ILE A 68 -21.771 10.981 3.780 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.795 12.999 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -19.354 10.947 4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -18.607 10.909 3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -19.948 13.999 4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.536 13.958 4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.142 12.760 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -17.055 11.760 4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.436 13.023 3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.195 13.062 5.368 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.591 12.217 2.524 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.681 12.914 1.832 1.00 0.00 C ATOM 1100 C ILE A 69 -24.616 14.418 2.154 1.00 0.00 C ATOM 1101 O ILE A 69 -24.367 14.805 3.302 1.00 0.00 O ATOM 1102 CB ILE A 69 -26.084 12.310 2.206 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.132 10.782 1.866 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -27.237 13.066 1.497 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -25.860 10.439 0.399 1.00 0.00 C ATOM 0 H ILE A 69 -23.894 11.690 3.343 1.00 0.00 H new ATOM 0 HA ILE A 69 -24.556 12.776 0.758 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.223 12.432 3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.401 10.263 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.114 10.395 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -28.191 12.621 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -27.223 14.114 1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -27.109 12.995 0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -25.915 9.359 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -26.605 10.923 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -24.866 10.790 0.122 1.00 0.00 H new ATOM 1117 N GLY A 70 -24.829 15.246 1.121 1.00 0.00 N ATOM 1118 CA GLY A 70 -24.655 16.685 1.213 1.00 0.00 C ATOM 1119 C GLY A 70 -23.213 17.108 0.989 1.00 0.00 C ATOM 1120 O GLY A 70 -22.898 18.293 1.117 1.00 0.00 O ATOM 0 H GLY A 70 -25.127 14.926 0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -25.293 17.173 0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -24.983 17.026 2.195 1.00 0.00 H new ATOM 1124 N TYR A 71 -22.330 16.142 0.650 1.00 0.00 N ATOM 1125 CA TYR A 71 -20.889 16.397 0.428 1.00 0.00 C ATOM 1126 C TYR A 71 -20.376 15.553 -0.736 1.00 0.00 C ATOM 1127 O TYR A 71 -21.006 14.570 -1.138 1.00 0.00 O ATOM 1128 CB TYR A 71 -20.053 16.096 1.702 1.00 0.00 C ATOM 1129 CG TYR A 71 -20.372 17.029 2.882 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -19.749 18.271 3.012 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -21.314 16.673 3.850 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -20.053 19.109 4.066 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -21.614 17.510 4.899 1.00 0.00 C ATOM 1134 CZ TYR A 71 -20.982 18.723 5.005 1.00 0.00 C ATOM 1135 OH TYR A 71 -21.277 19.558 6.058 1.00 0.00 O ATOM 0 H TYR A 71 -22.596 15.165 0.523 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.775 17.454 0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -20.230 15.065 2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.994 16.180 1.459 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -19.019 18.581 2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -21.817 15.721 3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -19.562 20.067 4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -22.345 17.213 5.637 1.00 0.00 H new ATOM 0 HH TYR A 71 -21.953 19.138 6.629 1.00 0.00 H new ATOM 1145 N THR A 72 -19.221 15.947 -1.267 1.00 0.00 N ATOM 1146 CA THR A 72 -18.576 15.267 -2.382 1.00 0.00 C ATOM 1147 C THR A 72 -17.065 15.391 -2.215 1.00 0.00 C ATOM 1148 O THR A 72 -16.551 16.517 -2.156 1.00 0.00 O ATOM 1149 CB THR A 72 -19.010 15.896 -3.753 1.00 0.00 C ATOM 1150 OG1 THR A 72 -20.443 15.926 -3.852 1.00 0.00 O ATOM 1151 CG2 THR A 72 -18.454 15.112 -4.954 1.00 0.00 C ATOM 0 H THR A 72 -18.702 16.758 -0.929 1.00 0.00 H new ATOM 0 HA THR A 72 -18.876 14.219 -2.384 1.00 0.00 H new ATOM 0 HB THR A 72 -18.602 16.906 -3.780 1.00 0.00 H new ATOM 0 HG1 THR A 72 -20.716 16.674 -4.423 1.00 0.00 H new ATOM 0 HG21 THR A 72 -18.781 15.585 -5.880 1.00 0.00 H new ATOM 0 HG22 THR A 72 -17.365 15.108 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 72 -18.822 14.086 -4.921 1.00 0.00 H new ATOM 1159 N ALA A 73 -16.368 14.242 -2.109 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.899 14.196 -2.057 1.00 0.00 C ATOM 1161 C ALA A 73 -14.327 14.671 -3.393 1.00 0.00 C ATOM 1162 O ALA A 73 -14.942 14.458 -4.450 1.00 0.00 O ATOM 1163 CB ALA A 73 -14.407 12.770 -1.750 1.00 0.00 C ATOM 0 H ALA A 73 -16.809 13.324 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.556 14.854 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.318 12.760 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.803 12.448 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.752 12.090 -2.529 1.00 0.00 H new ATOM 1169 N ASP A 74 -13.150 15.301 -3.332 1.00 0.00 N ATOM 1170 CA ASP A 74 -12.413 15.725 -4.523 1.00 0.00 C ATOM 1171 C ASP A 74 -11.881 14.481 -5.262 1.00 0.00 C ATOM 1172 O ASP A 74 -11.814 14.457 -6.492 1.00 0.00 O ATOM 1173 CB ASP A 74 -11.271 16.692 -4.133 1.00 0.00 C ATOM 1174 CG ASP A 74 -10.471 17.144 -5.359 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -10.994 17.965 -6.147 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -9.344 16.654 -5.562 1.00 0.00 O ATOM 0 H ASP A 74 -12.683 15.531 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.078 16.266 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.688 17.564 -3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.605 16.201 -3.424 1.00 0.00 H new ATOM 1181 N LYS A 75 -11.531 13.443 -4.480 1.00 0.00 N ATOM 1182 CA LYS A 75 -11.232 12.108 -5.005 1.00 0.00 C ATOM 1183 C LYS A 75 -11.802 11.013 -4.068 1.00 0.00 C ATOM 1184 O LYS A 75 -11.217 10.706 -3.030 1.00 0.00 O ATOM 1185 CB LYS A 75 -9.705 11.895 -5.280 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.733 12.083 -4.075 1.00 0.00 C ATOM 1187 CD LYS A 75 -8.216 13.532 -3.893 1.00 0.00 C ATOM 1188 CE LYS A 75 -7.353 14.003 -5.072 1.00 0.00 C ATOM 1189 NZ LYS A 75 -6.198 13.111 -5.322 1.00 0.00 N ATOM 0 H LYS A 75 -11.449 13.512 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.727 12.024 -5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.569 10.886 -5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.404 12.585 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.241 11.774 -3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.879 11.419 -4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.065 14.205 -3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.633 13.593 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.968 14.055 -5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.992 15.012 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.350 13.684 -5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.035 12.512 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.396 12.509 -6.146 1.00 0.00 H new ATOM 1203 N PRO A 76 -13.011 10.454 -4.392 1.00 0.00 N ATOM 1204 CA PRO A 76 -13.472 9.169 -3.805 1.00 0.00 C ATOM 1205 C PRO A 76 -12.739 7.949 -4.447 1.00 0.00 C ATOM 1206 O PRO A 76 -12.883 6.816 -3.993 1.00 0.00 O ATOM 1207 CB PRO A 76 -14.986 9.170 -4.137 1.00 0.00 C ATOM 1208 CG PRO A 76 -15.090 9.970 -5.397 1.00 0.00 C ATOM 1209 CD PRO A 76 -14.041 11.055 -5.297 1.00 0.00 C ATOM 0 HA PRO A 76 -13.266 9.081 -2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.363 8.157 -4.277 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.569 9.618 -3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.919 9.342 -6.272 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.086 10.400 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.624 11.303 -6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.452 11.976 -4.883 1.00 0.00 H new ATOM 1217 N MET A 77 -11.930 8.221 -5.488 1.00 0.00 N ATOM 1218 CA MET A 77 -11.122 7.220 -6.193 1.00 0.00 C ATOM 1219 C MET A 77 -9.677 7.723 -6.256 1.00 0.00 C ATOM 1220 O MET A 77 -9.432 8.855 -6.697 1.00 0.00 O ATOM 1221 CB MET A 77 -11.682 7.008 -7.622 1.00 0.00 C ATOM 1222 CG MET A 77 -10.859 6.071 -8.516 1.00 0.00 C ATOM 1223 SD MET A 77 -10.685 4.405 -7.843 1.00 0.00 S ATOM 1224 CE MET A 77 -9.770 3.591 -9.154 1.00 0.00 C ATOM 0 H MET A 77 -11.821 9.162 -5.866 1.00 0.00 H new ATOM 0 HA MET A 77 -11.156 6.266 -5.666 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.694 6.612 -7.543 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.757 7.978 -8.113 1.00 0.00 H new ATOM 0 HG2 MET A 77 -11.330 6.011 -9.497 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.868 6.500 -8.664 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.650 2.535 -8.912 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.315 3.688 -10.093 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.789 4.054 -9.255 1.00 0.00 H new ATOM 1234 N VAL A 78 -8.743 6.894 -5.776 1.00 0.00 N ATOM 1235 CA VAL A 78 -7.301 7.142 -5.888 1.00 0.00 C ATOM 1236 C VAL A 78 -6.793 6.606 -7.240 1.00 0.00 C ATOM 1237 O VAL A 78 -7.108 5.468 -7.626 1.00 0.00 O ATOM 1238 CB VAL A 78 -6.510 6.491 -4.678 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -4.987 6.405 -4.949 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -6.796 7.275 -3.367 1.00 0.00 C ATOM 0 H VAL A 78 -8.969 6.024 -5.294 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.123 8.216 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.867 5.467 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.490 5.952 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.809 5.796 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.589 7.407 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.247 6.819 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.477 8.311 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.864 7.246 -3.152 1.00 0.00 H new ATOM 1250 N GLY A 79 -6.048 7.471 -7.953 1.00 0.00 N ATOM 1251 CA GLY A 79 -5.395 7.123 -9.213 1.00 0.00 C ATOM 1252 C GLY A 79 -4.259 6.110 -9.050 1.00 0.00 C ATOM 1253 O GLY A 79 -3.723 5.968 -7.948 1.00 0.00 O ATOM 0 H GLY A 79 -5.886 8.435 -7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.138 6.717 -9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.000 8.030 -9.672 1.00 0.00 H new ATOM 1257 N PRO A 80 -3.838 5.419 -10.148 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.941 4.237 -10.071 1.00 0.00 C ATOM 1259 C PRO A 80 -1.488 4.583 -9.638 1.00 0.00 C ATOM 1260 O PRO A 80 -0.814 5.356 -10.317 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.992 3.659 -11.524 1.00 0.00 C ATOM 1262 CG PRO A 80 -4.118 4.369 -12.204 1.00 0.00 C ATOM 1263 CD PRO A 80 -4.190 5.729 -11.557 1.00 0.00 C ATOM 0 HA PRO A 80 -3.265 3.531 -9.307 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.050 3.829 -12.046 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.159 2.582 -11.511 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.938 4.454 -13.276 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.055 3.826 -12.081 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.490 6.433 -12.007 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.183 6.169 -11.642 1.00 0.00 H new ATOM 1271 N ASP A 81 -1.029 4.023 -8.491 1.00 0.00 N ATOM 1272 CA ASP A 81 0.379 4.147 -8.015 1.00 0.00 C ATOM 1273 C ASP A 81 1.091 2.788 -8.140 1.00 0.00 C ATOM 1274 O ASP A 81 0.969 1.946 -7.238 1.00 0.00 O ATOM 1275 CB ASP A 81 0.433 4.591 -6.528 1.00 0.00 C ATOM 1276 CG ASP A 81 -0.241 5.933 -6.262 1.00 0.00 C ATOM 1277 OD1 ASP A 81 0.368 6.983 -6.554 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -1.380 5.957 -5.757 1.00 0.00 O ATOM 0 H ASP A 81 -1.620 3.473 -7.868 1.00 0.00 H new ATOM 0 HA ASP A 81 0.873 4.899 -8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.043 3.827 -5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.475 4.650 -6.213 1.00 0.00 H new ATOM 1283 N GLU A 82 1.804 2.566 -9.260 1.00 0.00 N ATOM 1284 CA GLU A 82 2.531 1.294 -9.524 1.00 0.00 C ATOM 1285 C GLU A 82 3.781 1.183 -8.629 1.00 0.00 C ATOM 1286 O GLU A 82 4.864 1.679 -8.976 1.00 0.00 O ATOM 1287 CB GLU A 82 2.935 1.143 -11.030 1.00 0.00 C ATOM 1288 CG GLU A 82 1.773 1.118 -12.047 1.00 0.00 C ATOM 1289 CD GLU A 82 0.998 2.436 -12.220 1.00 0.00 C ATOM 1290 OE1 GLU A 82 1.606 3.535 -12.144 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -0.217 2.377 -12.490 1.00 0.00 O ATOM 0 H GLU A 82 1.897 3.254 -10.008 1.00 0.00 H new ATOM 0 HA GLU A 82 1.844 0.482 -9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.601 1.966 -11.290 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.507 0.222 -11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.173 0.825 -13.018 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.069 0.343 -11.745 1.00 0.00 H new ATOM 1298 N VAL A 83 3.602 0.558 -7.457 1.00 0.00 N ATOM 1299 CA VAL A 83 4.671 0.340 -6.474 1.00 0.00 C ATOM 1300 C VAL A 83 5.452 -0.954 -6.812 1.00 0.00 C ATOM 1301 O VAL A 83 4.963 -2.062 -6.577 1.00 0.00 O ATOM 1302 CB VAL A 83 4.069 0.265 -5.019 1.00 0.00 C ATOM 1303 CG1 VAL A 83 5.141 -0.110 -3.973 1.00 0.00 C ATOM 1304 CG2 VAL A 83 3.362 1.596 -4.661 1.00 0.00 C ATOM 0 H VAL A 83 2.700 0.185 -7.162 1.00 0.00 H new ATOM 0 HA VAL A 83 5.364 1.181 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 83 3.325 -0.532 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.685 -0.151 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.564 -1.084 -4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.932 0.640 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.951 1.530 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.081 2.414 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.556 1.782 -5.370 1.00 0.00 H new ATOM 1314 N THR A 84 6.654 -0.791 -7.394 1.00 0.00 N ATOM 1315 CA THR A 84 7.560 -1.906 -7.706 1.00 0.00 C ATOM 1316 C THR A 84 8.495 -2.160 -6.510 1.00 0.00 C ATOM 1317 O THR A 84 9.403 -1.366 -6.253 1.00 0.00 O ATOM 1318 CB THR A 84 8.419 -1.597 -8.982 1.00 0.00 C ATOM 1319 OG1 THR A 84 7.562 -1.260 -10.083 1.00 0.00 O ATOM 1320 CG2 THR A 84 9.313 -2.788 -9.384 1.00 0.00 C ATOM 0 H THR A 84 7.023 0.122 -7.661 1.00 0.00 H new ATOM 0 HA THR A 84 6.956 -2.792 -7.903 1.00 0.00 H new ATOM 0 HB THR A 84 9.067 -0.755 -8.736 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.107 -1.067 -10.875 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.889 -2.527 -10.272 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.994 -3.024 -8.566 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.689 -3.656 -9.598 1.00 0.00 H new ATOM 1328 N VAL A 85 8.254 -3.253 -5.772 1.00 0.00 N ATOM 1329 CA VAL A 85 9.114 -3.655 -4.653 1.00 0.00 C ATOM 1330 C VAL A 85 9.937 -4.875 -5.080 1.00 0.00 C ATOM 1331 O VAL A 85 9.397 -5.965 -5.287 1.00 0.00 O ATOM 1332 CB VAL A 85 8.288 -3.955 -3.340 1.00 0.00 C ATOM 1333 CG1 VAL A 85 9.189 -4.498 -2.204 1.00 0.00 C ATOM 1334 CG2 VAL A 85 7.544 -2.680 -2.884 1.00 0.00 C ATOM 0 H VAL A 85 7.464 -3.878 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 85 9.779 -2.827 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 85 7.559 -4.732 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.582 -4.691 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.664 -5.424 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.956 -3.761 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.977 -2.894 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.267 -1.890 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.863 -2.355 -3.671 1.00 0.00 H new ATOM 1344 N ASP A 86 11.247 -4.645 -5.234 1.00 0.00 N ATOM 1345 CA ASP A 86 12.244 -5.684 -5.496 1.00 0.00 C ATOM 1346 C ASP A 86 12.669 -6.283 -4.163 1.00 0.00 C ATOM 1347 O ASP A 86 12.335 -5.748 -3.104 1.00 0.00 O ATOM 1348 CB ASP A 86 13.494 -5.067 -6.188 1.00 0.00 C ATOM 1349 CG ASP A 86 13.213 -4.473 -7.576 1.00 0.00 C ATOM 1350 OD1 ASP A 86 12.312 -3.615 -7.689 1.00 0.00 O ATOM 1351 OD2 ASP A 86 13.906 -4.837 -8.555 1.00 0.00 O ATOM 0 H ASP A 86 11.650 -3.709 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 86 11.815 -6.445 -6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.903 -4.286 -5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.261 -5.836 -6.282 1.00 0.00 H new ATOM 1356 N SER A 87 13.436 -7.373 -4.227 1.00 0.00 N ATOM 1357 CA SER A 87 14.166 -7.906 -3.055 1.00 0.00 C ATOM 1358 C SER A 87 15.253 -6.908 -2.601 1.00 0.00 C ATOM 1359 O SER A 87 15.659 -6.897 -1.437 1.00 0.00 O ATOM 1360 CB SER A 87 14.768 -9.292 -3.387 1.00 0.00 C ATOM 1361 OG SER A 87 13.735 -10.220 -3.722 1.00 0.00 O ATOM 0 H SER A 87 13.574 -7.914 -5.081 1.00 0.00 H new ATOM 0 HA SER A 87 13.469 -8.035 -2.227 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.467 -9.201 -4.218 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.335 -9.663 -2.533 1.00 0.00 H new ATOM 0 HG SER A 87 14.105 -11.127 -3.743 1.00 0.00 H new ATOM 1367 N LYS A 88 15.680 -6.063 -3.555 1.00 0.00 N ATOM 1368 CA LYS A 88 16.698 -5.010 -3.360 1.00 0.00 C ATOM 1369 C LYS A 88 16.168 -3.907 -2.424 1.00 0.00 C ATOM 1370 O LYS A 88 16.879 -3.450 -1.522 1.00 0.00 O ATOM 1371 CB LYS A 88 17.069 -4.374 -4.730 1.00 0.00 C ATOM 1372 CG LYS A 88 17.348 -5.390 -5.855 1.00 0.00 C ATOM 1373 CD LYS A 88 17.351 -4.735 -7.255 1.00 0.00 C ATOM 1374 CE LYS A 88 17.297 -5.763 -8.396 1.00 0.00 C ATOM 1375 NZ LYS A 88 17.216 -5.106 -9.724 1.00 0.00 N ATOM 0 H LYS A 88 15.319 -6.092 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 88 17.579 -5.467 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.256 -3.719 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.951 -3.747 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 88 18.312 -5.867 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.593 -6.176 -5.826 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.497 -4.063 -7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.248 -4.126 -7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 88 18.183 -6.397 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.433 -6.414 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.181 -5.831 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 16.357 -4.521 -9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.053 -4.505 -9.865 1.00 0.00 H new ATOM 1389 N ASN A 89 14.910 -3.477 -2.673 1.00 0.00 N ATOM 1390 CA ASN A 89 14.247 -2.385 -1.916 1.00 0.00 C ATOM 1391 C ASN A 89 13.058 -2.952 -1.108 1.00 0.00 C ATOM 1392 O ASN A 89 12.082 -2.247 -0.818 1.00 0.00 O ATOM 1393 CB ASN A 89 13.797 -1.226 -2.870 1.00 0.00 C ATOM 1394 CG ASN A 89 12.604 -1.565 -3.772 1.00 0.00 C ATOM 1395 OD1 ASN A 89 12.773 -2.115 -4.849 1.00 0.00 O ATOM 1396 ND2 ASN A 89 11.401 -1.213 -3.340 1.00 0.00 N ATOM 0 H ASN A 89 14.323 -3.877 -3.405 1.00 0.00 H new ATOM 0 HA ASN A 89 14.965 -1.958 -1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.543 -0.355 -2.266 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.641 -0.943 -3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.578 -1.400 -3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.298 -0.755 -2.434 1.00 0.00 H new ATOM 1403 N PHE A 90 13.177 -4.228 -0.709 1.00 0.00 N ATOM 1404 CA PHE A 90 12.107 -4.971 -0.031 1.00 0.00 C ATOM 1405 C PHE A 90 11.735 -4.334 1.310 1.00 0.00 C ATOM 1406 O PHE A 90 10.561 -4.129 1.618 1.00 0.00 O ATOM 1407 CB PHE A 90 12.550 -6.430 0.171 1.00 0.00 C ATOM 1408 CG PHE A 90 11.442 -7.326 0.711 1.00 0.00 C ATOM 1409 CD1 PHE A 90 10.333 -7.628 -0.083 1.00 0.00 C ATOM 1410 CD2 PHE A 90 11.497 -7.854 1.997 1.00 0.00 C ATOM 1411 CE1 PHE A 90 9.322 -8.440 0.388 1.00 0.00 C ATOM 1412 CE2 PHE A 90 10.483 -8.668 2.466 1.00 0.00 C ATOM 1413 CZ PHE A 90 9.396 -8.959 1.663 1.00 0.00 C ATOM 0 H PHE A 90 14.026 -4.776 -0.850 1.00 0.00 H new ATOM 0 HA PHE A 90 11.217 -4.941 -0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.901 -6.831 -0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 90 13.395 -6.454 0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.266 -7.220 -1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.339 -7.626 2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.474 -8.669 -0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.540 -9.078 3.463 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.605 -9.593 2.035 1.00 0.00 H new ATOM 1423 N LEU A 91 12.770 -4.009 2.076 1.00 0.00 N ATOM 1424 CA LEU A 91 12.650 -3.433 3.418 1.00 0.00 C ATOM 1425 C LEU A 91 12.497 -1.909 3.363 1.00 0.00 C ATOM 1426 O LEU A 91 12.388 -1.251 4.401 1.00 0.00 O ATOM 1427 CB LEU A 91 13.877 -3.865 4.231 1.00 0.00 C ATOM 1428 CG LEU A 91 14.022 -5.411 4.315 1.00 0.00 C ATOM 1429 CD1 LEU A 91 15.310 -5.824 5.014 1.00 0.00 C ATOM 1430 CD2 LEU A 91 12.770 -6.040 4.973 1.00 0.00 C ATOM 0 H LEU A 91 13.737 -4.140 1.779 1.00 0.00 H new ATOM 0 HA LEU A 91 11.747 -3.802 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.775 -3.443 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.804 -3.455 5.238 1.00 0.00 H new ATOM 0 HG LEU A 91 14.091 -5.799 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.371 -6.912 5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 91 16.165 -5.431 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 91 15.317 -5.425 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.890 -7.122 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.649 -5.641 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 91 11.888 -5.800 4.380 1.00 0.00 H new ATOM 1442 N ASP A 92 12.520 -1.362 2.141 1.00 0.00 N ATOM 1443 CA ASP A 92 12.181 0.046 1.864 1.00 0.00 C ATOM 1444 C ASP A 92 10.662 0.183 1.699 1.00 0.00 C ATOM 1445 O ASP A 92 9.984 -0.762 1.266 1.00 0.00 O ATOM 1446 CB ASP A 92 12.904 0.537 0.584 1.00 0.00 C ATOM 1447 CG ASP A 92 14.426 0.643 0.761 1.00 0.00 C ATOM 1448 OD1 ASP A 92 15.108 -0.403 0.816 1.00 0.00 O ATOM 1449 OD2 ASP A 92 14.952 1.777 0.865 1.00 0.00 O ATOM 0 H ASP A 92 12.777 -1.888 1.305 1.00 0.00 H new ATOM 0 HA ASP A 92 12.511 0.662 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.685 -0.147 -0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.507 1.512 0.300 1.00 0.00 H new ATOM 1454 N LYS A 93 10.133 1.359 2.064 1.00 0.00 N ATOM 1455 CA LYS A 93 8.699 1.664 1.977 1.00 0.00 C ATOM 1456 C LYS A 93 8.452 2.665 0.845 1.00 0.00 C ATOM 1457 O LYS A 93 9.278 3.553 0.596 1.00 0.00 O ATOM 1458 CB LYS A 93 8.203 2.243 3.325 1.00 0.00 C ATOM 1459 CG LYS A 93 8.908 3.545 3.764 1.00 0.00 C ATOM 1460 CD LYS A 93 8.488 4.028 5.166 1.00 0.00 C ATOM 1461 CE LYS A 93 9.190 5.333 5.567 1.00 0.00 C ATOM 1462 NZ LYS A 93 10.665 5.189 5.620 1.00 0.00 N ATOM 0 H LYS A 93 10.692 2.130 2.430 1.00 0.00 H new ATOM 0 HA LYS A 93 8.147 0.749 1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.132 2.432 3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.342 1.491 4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.986 3.387 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.691 4.329 3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.408 4.177 5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.718 3.254 5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.930 6.116 4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.824 5.654 6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.084 6.051 6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.913 4.372 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.034 5.042 4.659 1.00 0.00 H new ATOM 1476 N GLN A 94 7.319 2.503 0.154 1.00 0.00 N ATOM 1477 CA GLN A 94 6.866 3.432 -0.901 1.00 0.00 C ATOM 1478 C GLN A 94 5.477 3.956 -0.520 1.00 0.00 C ATOM 1479 O GLN A 94 4.593 4.134 -1.371 1.00 0.00 O ATOM 1480 CB GLN A 94 6.861 2.715 -2.277 1.00 0.00 C ATOM 1481 CG GLN A 94 8.226 2.126 -2.687 1.00 0.00 C ATOM 1482 CD GLN A 94 8.317 1.693 -4.150 1.00 0.00 C ATOM 1483 OE1 GLN A 94 7.633 2.236 -5.021 1.00 0.00 O ATOM 1484 NE2 GLN A 94 9.183 0.739 -4.432 1.00 0.00 N ATOM 0 H GLN A 94 6.683 1.721 0.308 1.00 0.00 H new ATOM 0 HA GLN A 94 7.547 4.279 -0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.124 1.912 -2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 94 6.538 3.422 -3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.001 2.868 -2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 94 8.441 1.266 -2.053 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.732 0.312 -3.686 1.00 0.00 H new ATOM 0 HE22 GLN A 94 9.304 0.428 -5.396 1.00 0.00 H new ATOM 1493 N ASN A 95 5.332 4.231 0.784 1.00 0.00 N ATOM 1494 CA ASN A 95 4.045 4.519 1.424 1.00 0.00 C ATOM 1495 C ASN A 95 3.470 5.858 0.955 1.00 0.00 C ATOM 1496 O ASN A 95 3.935 6.928 1.372 1.00 0.00 O ATOM 1497 CB ASN A 95 4.181 4.485 2.973 1.00 0.00 C ATOM 1498 CG ASN A 95 4.635 3.133 3.518 1.00 0.00 C ATOM 1499 OD1 ASN A 95 4.468 2.094 2.877 1.00 0.00 O ATOM 1500 ND2 ASN A 95 5.189 3.136 4.713 1.00 0.00 N ATOM 0 H ASN A 95 6.119 4.259 1.432 1.00 0.00 H new ATOM 0 HA ASN A 95 3.345 3.740 1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.893 5.250 3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.221 4.743 3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.495 2.259 5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.312 4.015 5.216 1.00 0.00 H new ATOM 1507 N ARG A 96 2.464 5.778 0.067 1.00 0.00 N ATOM 1508 CA ARG A 96 1.765 6.962 -0.476 1.00 0.00 C ATOM 1509 C ARG A 96 0.790 7.514 0.584 1.00 0.00 C ATOM 1510 O ARG A 96 0.380 6.787 1.488 1.00 0.00 O ATOM 1511 CB ARG A 96 1.011 6.596 -1.789 1.00 0.00 C ATOM 1512 CG ARG A 96 1.860 5.845 -2.837 1.00 0.00 C ATOM 1513 CD ARG A 96 3.102 6.624 -3.278 1.00 0.00 C ATOM 1514 NE ARG A 96 2.763 7.911 -3.903 1.00 0.00 N ATOM 1515 CZ ARG A 96 3.589 8.959 -3.990 1.00 0.00 C ATOM 1516 NH1 ARG A 96 4.815 8.905 -3.479 1.00 0.00 N ATOM 1517 NH2 ARG A 96 3.178 10.066 -4.571 1.00 0.00 N ATOM 0 H ARG A 96 2.111 4.893 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 96 2.497 7.733 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.146 5.982 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.630 7.512 -2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.169 4.885 -2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.243 5.633 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.743 6.800 -2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.675 6.021 -3.982 1.00 0.00 H new ATOM 0 HE ARG A 96 1.829 8.012 -4.300 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.136 8.056 -3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.434 9.712 -3.553 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.234 10.122 -4.952 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.804 10.868 -4.640 1.00 0.00 H new ATOM 1531 N GLU A 97 0.443 8.800 0.488 1.00 0.00 N ATOM 1532 CA GLU A 97 -0.479 9.442 1.438 1.00 0.00 C ATOM 1533 C GLU A 97 -1.313 10.516 0.732 1.00 0.00 C ATOM 1534 O GLU A 97 -0.758 11.356 0.008 1.00 0.00 O ATOM 1535 CB GLU A 97 0.322 10.066 2.607 1.00 0.00 C ATOM 1536 CG GLU A 97 -0.543 10.640 3.744 1.00 0.00 C ATOM 1537 CD GLU A 97 0.279 11.316 4.844 1.00 0.00 C ATOM 1538 OE1 GLU A 97 0.663 12.492 4.664 1.00 0.00 O ATOM 1539 OE2 GLU A 97 0.547 10.678 5.884 1.00 0.00 O ATOM 0 H GLU A 97 0.788 9.424 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.157 8.687 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.986 9.307 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.954 10.861 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.245 11.362 3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.134 9.837 4.183 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.637 10.490 0.960 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.580 11.464 0.386 1.00 0.00 C ATOM 1548 C GLU A 98 -4.666 11.826 1.401 1.00 0.00 C ATOM 1549 O GLU A 98 -5.166 10.973 2.125 1.00 0.00 O ATOM 1550 CB GLU A 98 -4.242 10.915 -0.905 1.00 0.00 C ATOM 1551 CG GLU A 98 -3.285 10.808 -2.102 1.00 0.00 C ATOM 1552 CD GLU A 98 -3.962 10.318 -3.375 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -4.837 11.044 -3.908 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -3.609 9.230 -3.869 1.00 0.00 O ATOM 0 H GLU A 98 -3.085 9.789 1.551 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.011 12.358 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.658 9.929 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.076 11.562 -1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.839 11.785 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.471 10.129 -1.848 1.00 0.00 H new ATOM 1561 N THR A 99 -4.992 13.119 1.452 1.00 0.00 N ATOM 1562 CA THR A 99 -6.149 13.646 2.182 1.00 0.00 C ATOM 1563 C THR A 99 -7.190 14.105 1.158 1.00 0.00 C ATOM 1564 O THR A 99 -6.920 15.019 0.373 1.00 0.00 O ATOM 1565 CB THR A 99 -5.734 14.840 3.106 1.00 0.00 C ATOM 1566 OG1 THR A 99 -4.729 14.390 4.006 1.00 0.00 O ATOM 1567 CG2 THR A 99 -6.920 15.393 3.911 1.00 0.00 C ATOM 0 H THR A 99 -4.451 13.843 0.979 1.00 0.00 H new ATOM 0 HA THR A 99 -6.564 12.867 2.821 1.00 0.00 H new ATOM 0 HB THR A 99 -5.364 15.645 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.458 15.129 4.590 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.582 16.219 4.536 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.690 15.748 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.331 14.605 4.542 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.359 13.446 1.137 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.442 13.806 0.220 1.00 0.00 C ATOM 1577 C VAL A 100 -10.327 14.862 0.919 1.00 0.00 C ATOM 1578 O VAL A 100 -10.538 14.799 2.146 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.282 12.539 -0.245 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -9.365 11.302 -0.465 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.439 12.212 0.720 1.00 0.00 C ATOM 0 H VAL A 100 -8.575 12.659 1.749 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.022 14.224 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.735 12.798 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.970 10.453 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.626 11.529 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.855 11.057 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.980 11.339 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.038 12.003 1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.118 13.063 0.775 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.802 15.847 0.150 1.00 0.00 N ATOM 1592 CA ILE A 101 -11.577 16.975 0.690 1.00 0.00 C ATOM 1593 C ILE A 101 -13.037 16.886 0.222 1.00 0.00 C ATOM 1594 O ILE A 101 -13.325 16.998 -0.975 1.00 0.00 O ATOM 1595 CB ILE A 101 -10.930 18.349 0.271 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -9.475 18.485 0.860 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -11.823 19.542 0.690 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -9.387 18.423 2.390 1.00 0.00 C ATOM 0 H ILE A 101 -10.663 15.888 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.562 16.920 1.778 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.853 18.367 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.855 17.692 0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -9.050 19.431 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -11.349 20.475 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -12.796 19.455 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.954 19.536 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.347 18.525 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.975 19.233 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.776 17.466 2.738 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.936 16.656 1.187 1.00 0.00 N ATOM 1611 CA TYR A 102 -15.381 16.666 0.976 1.00 0.00 C ATOM 1612 C TYR A 102 -15.881 18.100 1.062 1.00 0.00 C ATOM 1613 O TYR A 102 -15.878 18.710 2.138 1.00 0.00 O ATOM 1614 CB TYR A 102 -16.117 15.783 2.021 1.00 0.00 C ATOM 1615 CG TYR A 102 -16.008 14.273 1.786 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -14.926 13.533 2.266 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -17.002 13.589 1.084 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -14.841 12.169 2.051 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -16.922 12.228 0.869 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.841 11.520 1.352 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.766 10.158 1.133 1.00 0.00 O ATOM 0 H TYR A 102 -13.671 16.455 2.151 1.00 0.00 H new ATOM 0 HA TYR A 102 -15.592 16.251 -0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.720 16.011 3.010 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -17.171 16.059 2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -14.142 14.034 2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -17.851 14.136 0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -13.996 11.613 2.428 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -17.703 11.719 0.324 1.00 0.00 H new ATOM 0 HH TYR A 102 -16.563 9.723 1.502 1.00 0.00 H new ATOM 1631 N SER A 103 -16.297 18.631 -0.077 1.00 0.00 N ATOM 1632 CA SER A 103 -16.904 19.951 -0.163 1.00 0.00 C ATOM 1633 C SER A 103 -18.419 19.749 -0.229 1.00 0.00 C ATOM 1634 O SER A 103 -18.868 18.771 -0.842 1.00 0.00 O ATOM 1635 CB SER A 103 -16.377 20.680 -1.423 1.00 0.00 C ATOM 1636 OG SER A 103 -14.956 20.691 -1.447 1.00 0.00 O ATOM 0 H SER A 103 -16.222 18.154 -0.976 1.00 0.00 H new ATOM 0 HA SER A 103 -16.652 20.566 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 103 -16.756 20.187 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 103 -16.753 21.703 -1.440 1.00 0.00 H new ATOM 0 HG SER A 103 -14.646 21.155 -2.253 1.00 0.00 H new ATOM 1642 N ALA A 104 -19.189 20.654 0.409 1.00 0.00 N ATOM 1643 CA ALA A 104 -20.669 20.646 0.365 1.00 0.00 C ATOM 1644 C ALA A 104 -21.131 20.563 -1.091 1.00 0.00 C ATOM 1645 O ALA A 104 -20.763 21.426 -1.872 1.00 0.00 O ATOM 1646 CB ALA A 104 -21.237 21.896 1.059 1.00 0.00 C ATOM 0 H ALA A 104 -18.803 21.413 0.971 1.00 0.00 H new ATOM 0 HA ALA A 104 -21.044 19.775 0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -22.326 21.873 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -20.915 21.912 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -20.873 22.790 0.553 1.00 0.00 H new ATOM 1652 N ASN A 105 -21.955 19.527 -1.387 1.00 0.00 N ATOM 1653 CA ASN A 105 -22.252 18.988 -2.744 1.00 0.00 C ATOM 1654 C ASN A 105 -22.551 20.085 -3.784 1.00 0.00 C ATOM 1655 O ASN A 105 -22.960 21.200 -3.433 1.00 0.00 O ATOM 1656 CB ASN A 105 -23.469 18.001 -2.640 1.00 0.00 C ATOM 1657 CG ASN A 105 -23.495 16.875 -3.682 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -23.017 17.011 -4.800 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -24.079 15.753 -3.314 1.00 0.00 N ATOM 0 H ASN A 105 -22.454 19.020 -0.656 1.00 0.00 H new ATOM 0 HA ASN A 105 -21.359 18.471 -3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -23.468 17.553 -1.646 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -24.390 18.577 -2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -24.141 14.972 -3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -24.470 15.665 -2.376 1.00 0.00 H new ATOM 1666 N THR A 106 -22.384 19.726 -5.074 1.00 0.00 N ATOM 1667 CA THR A 106 -22.659 20.605 -6.246 1.00 0.00 C ATOM 1668 C THR A 106 -24.036 21.320 -6.168 1.00 0.00 C ATOM 1669 O THR A 106 -24.255 22.319 -6.859 1.00 0.00 O ATOM 1670 CB THR A 106 -22.586 19.781 -7.580 1.00 0.00 C ATOM 1671 OG1 THR A 106 -22.743 20.646 -8.732 1.00 0.00 O ATOM 1672 CG2 THR A 106 -23.655 18.657 -7.608 1.00 0.00 C ATOM 0 H THR A 106 -22.048 18.801 -5.343 1.00 0.00 H new ATOM 0 HA THR A 106 -21.888 21.375 -6.230 1.00 0.00 H new ATOM 0 HB THR A 106 -21.601 19.317 -7.623 1.00 0.00 H new ATOM 0 HG1 THR A 106 -22.693 20.111 -9.552 1.00 0.00 H new ATOM 0 HG21 THR A 106 -23.578 18.105 -8.545 1.00 0.00 H new ATOM 0 HG22 THR A 106 -23.490 17.977 -6.772 1.00 0.00 H new ATOM 0 HG23 THR A 106 -24.649 19.098 -7.527 1.00 0.00 H new ATOM 1680 N ILE A 107 -24.947 20.772 -5.351 1.00 0.00 N ATOM 1681 CA ILE A 107 -26.252 21.371 -5.047 1.00 0.00 C ATOM 1682 C ILE A 107 -26.108 22.850 -4.612 1.00 0.00 C ATOM 1683 O ILE A 107 -26.764 23.742 -5.173 1.00 0.00 O ATOM 1684 CB ILE A 107 -26.977 20.558 -3.909 1.00 0.00 C ATOM 1685 CG1 ILE A 107 -27.056 19.036 -4.263 1.00 0.00 C ATOM 1686 CG2 ILE A 107 -28.380 21.141 -3.603 1.00 0.00 C ATOM 1687 CD1 ILE A 107 -27.813 18.693 -5.546 1.00 0.00 C ATOM 0 H ILE A 107 -24.793 19.883 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 107 -26.849 21.336 -5.958 1.00 0.00 H new ATOM 0 HB ILE A 107 -26.379 20.655 -3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -26.041 18.648 -4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -27.530 18.513 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -28.853 20.557 -2.813 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -28.281 22.177 -3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -28.995 21.100 -4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -27.806 17.613 -5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -28.843 19.042 -5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -27.331 19.179 -6.394 1.00 0.00 H new ATOM 1699 N THR A 108 -25.255 23.100 -3.601 1.00 0.00 N ATOM 1700 CA THR A 108 -25.004 24.459 -3.106 1.00 0.00 C ATOM 1701 C THR A 108 -23.879 25.156 -3.895 1.00 0.00 C ATOM 1702 O THR A 108 -23.898 26.385 -4.044 1.00 0.00 O ATOM 1703 CB THR A 108 -24.674 24.464 -1.583 1.00 0.00 C ATOM 1704 OG1 THR A 108 -24.578 25.817 -1.112 1.00 0.00 O ATOM 1705 CG2 THR A 108 -23.370 23.713 -1.255 1.00 0.00 C ATOM 0 H THR A 108 -24.729 22.375 -3.113 1.00 0.00 H new ATOM 0 HA THR A 108 -25.925 25.021 -3.259 1.00 0.00 H new ATOM 0 HB THR A 108 -25.486 23.941 -1.078 1.00 0.00 H new ATOM 0 HG1 THR A 108 -24.372 25.816 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 108 -23.190 23.749 -0.181 1.00 0.00 H new ATOM 0 HG22 THR A 108 -23.458 22.674 -1.574 1.00 0.00 H new ATOM 0 HG23 THR A 108 -22.538 24.184 -1.778 1.00 0.00 H new ATOM 1713 N GLN A 109 -22.905 24.370 -4.400 1.00 0.00 N ATOM 1714 CA GLN A 109 -21.740 24.911 -5.132 1.00 0.00 C ATOM 1715 C GLN A 109 -22.186 25.586 -6.437 1.00 0.00 C ATOM 1716 O GLN A 109 -22.005 26.793 -6.627 1.00 0.00 O ATOM 1717 CB GLN A 109 -20.713 23.798 -5.475 1.00 0.00 C ATOM 1718 CG GLN A 109 -20.025 23.137 -4.279 1.00 0.00 C ATOM 1719 CD GLN A 109 -18.905 22.173 -4.689 1.00 0.00 C ATOM 1720 OE1 GLN A 109 -18.236 22.368 -5.708 1.00 0.00 O ATOM 1721 NE2 GLN A 109 -18.694 21.127 -3.909 1.00 0.00 N ATOM 0 H GLN A 109 -22.903 23.354 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 109 -21.266 25.642 -4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -21.222 23.025 -6.051 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -19.946 24.224 -6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -19.612 23.910 -3.631 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -20.768 22.594 -3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -19.262 20.991 -3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -17.963 20.456 -4.143 1.00 0.00 H new ATOM 1730 N ASN A 110 -22.796 24.763 -7.305 1.00 0.00 N ATOM 1731 CA ASN A 110 -23.186 25.107 -8.681 1.00 0.00 C ATOM 1732 C ASN A 110 -21.930 25.392 -9.525 1.00 0.00 C ATOM 1733 O ASN A 110 -21.392 24.464 -10.153 1.00 0.00 O ATOM 1734 CB ASN A 110 -24.235 26.266 -8.744 1.00 0.00 C ATOM 1735 CG ASN A 110 -25.508 25.952 -7.953 1.00 0.00 C ATOM 1736 OD1 ASN A 110 -26.476 25.423 -8.500 1.00 0.00 O ATOM 1737 ND2 ASN A 110 -25.505 26.252 -6.660 1.00 0.00 N ATOM 0 H ASN A 110 -23.040 23.804 -7.058 1.00 0.00 H new ATOM 0 HA ASN A 110 -23.696 24.246 -9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -23.786 27.179 -8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -24.496 26.458 -9.785 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -26.323 26.044 -6.086 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -24.685 26.690 -6.240 1.00 0.00 H new ATOM 1744 N LYS A 111 -21.444 26.662 -9.480 1.00 0.00 N ATOM 1745 CA LYS A 111 -20.198 27.114 -10.157 1.00 0.00 C ATOM 1746 C LYS A 111 -20.239 26.839 -11.676 1.00 0.00 C ATOM 1747 O LYS A 111 -21.296 26.557 -12.248 1.00 0.00 O ATOM 1748 CB LYS A 111 -18.974 26.408 -9.494 1.00 0.00 C ATOM 1749 CG LYS A 111 -18.812 26.689 -7.981 1.00 0.00 C ATOM 1750 CD LYS A 111 -17.939 25.616 -7.293 1.00 0.00 C ATOM 1751 CE LYS A 111 -17.715 25.865 -5.792 1.00 0.00 C ATOM 1752 NZ LYS A 111 -16.961 27.105 -5.518 1.00 0.00 N ATOM 0 H LYS A 111 -21.912 27.409 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 111 -20.106 28.193 -10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -19.067 25.332 -9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -18.066 26.724 -10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -18.361 27.671 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -19.794 26.718 -7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -18.408 24.641 -7.424 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -16.971 25.573 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -18.681 25.916 -5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -17.178 25.018 -5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -16.812 27.201 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -16.040 27.065 -6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -17.499 27.923 -5.868 1.00 0.00 H new ATOM 1766 N LYS A 112 -19.095 27.014 -12.340 1.00 0.00 N ATOM 1767 CA LYS A 112 -18.864 26.487 -13.686 1.00 0.00 C ATOM 1768 C LYS A 112 -17.957 25.267 -13.544 1.00 0.00 C ATOM 1769 O LYS A 112 -18.099 24.288 -14.277 1.00 0.00 O ATOM 1770 CB LYS A 112 -18.164 27.537 -14.576 1.00 0.00 C ATOM 1771 CG LYS A 112 -18.803 28.930 -14.525 1.00 0.00 C ATOM 1772 CD LYS A 112 -18.101 29.957 -15.447 1.00 0.00 C ATOM 1773 CE LYS A 112 -18.649 31.377 -15.264 1.00 0.00 C ATOM 1774 NZ LYS A 112 -18.460 31.861 -13.879 1.00 0.00 N ATOM 0 H LYS A 112 -18.300 27.527 -11.958 1.00 0.00 H new ATOM 0 HA LYS A 112 -19.815 26.229 -14.152 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -17.120 27.617 -14.272 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -18.169 27.184 -15.607 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -19.852 28.852 -14.811 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -18.779 29.297 -13.499 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -17.031 29.954 -15.241 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -18.226 29.653 -16.486 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -18.148 32.053 -15.957 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -19.710 31.393 -15.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -18.585 32.893 -13.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -19.160 31.411 -13.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -17.502 31.620 -13.555 1.00 0.00 H new ATOM 1788 N ASP A 113 -17.004 25.369 -12.577 1.00 0.00 N ATOM 1789 CA ASP A 113 -15.946 24.361 -12.316 1.00 0.00 C ATOM 1790 C ASP A 113 -15.055 24.199 -13.582 1.00 0.00 C ATOM 1791 O ASP A 113 -15.115 25.060 -14.469 1.00 0.00 O ATOM 1792 CB ASP A 113 -16.589 23.030 -11.804 1.00 0.00 C ATOM 1793 CG ASP A 113 -15.570 22.009 -11.262 1.00 0.00 C ATOM 1794 OD1 ASP A 113 -14.695 22.405 -10.465 1.00 0.00 O ATOM 1795 OD2 ASP A 113 -15.633 20.818 -11.642 1.00 0.00 O ATOM 0 H ASP A 113 -16.951 26.170 -11.947 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.282 24.693 -11.518 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -17.306 23.264 -11.018 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -17.148 22.572 -12.620 1.00 0.00 H new ATOM 1800 N GLY A 114 -14.211 23.144 -13.674 1.00 0.00 N ATOM 1801 CA GLY A 114 -13.282 23.004 -14.797 1.00 0.00 C ATOM 1802 C GLY A 114 -12.221 24.095 -14.776 1.00 0.00 C ATOM 1803 O GLY A 114 -11.811 24.601 -15.825 1.00 0.00 O ATOM 0 H GLY A 114 -14.162 22.391 -12.988 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.802 22.026 -14.755 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.834 23.048 -15.736 1.00 0.00 H new ATOM 1807 N LEU A 115 -11.789 24.447 -13.550 1.00 0.00 N ATOM 1808 CA LEU A 115 -10.830 25.531 -13.296 1.00 0.00 C ATOM 1809 C LEU A 115 -9.478 25.203 -13.944 1.00 0.00 C ATOM 1810 O LEU A 115 -9.009 25.922 -14.842 1.00 0.00 O ATOM 1811 CB LEU A 115 -10.671 25.748 -11.760 1.00 0.00 C ATOM 1812 CG LEU A 115 -11.985 26.059 -10.969 1.00 0.00 C ATOM 1813 CD1 LEU A 115 -11.713 26.137 -9.444 1.00 0.00 C ATOM 1814 CD2 LEU A 115 -12.666 27.348 -11.501 1.00 0.00 C ATOM 0 H LEU A 115 -12.102 23.979 -12.700 1.00 0.00 H new ATOM 0 HA LEU A 115 -11.205 26.454 -13.739 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.217 24.854 -11.332 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.972 26.569 -11.600 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.680 25.236 -11.132 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -12.643 26.354 -8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.314 25.184 -9.096 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -10.990 26.928 -9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -13.576 27.540 -10.933 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.985 28.192 -11.390 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -12.916 27.219 -12.554 1.00 0.00 H new ATOM 1826 N GLU A 116 -8.889 24.088 -13.493 1.00 0.00 N ATOM 1827 CA GLU A 116 -7.577 23.603 -13.956 1.00 0.00 C ATOM 1828 C GLU A 116 -7.299 22.220 -13.349 1.00 0.00 C ATOM 1829 O GLU A 116 -7.877 21.851 -12.314 1.00 0.00 O ATOM 1830 CB GLU A 116 -6.441 24.590 -13.562 1.00 0.00 C ATOM 1831 CG GLU A 116 -6.297 24.811 -12.045 1.00 0.00 C ATOM 1832 CD GLU A 116 -5.161 25.768 -11.685 1.00 0.00 C ATOM 1833 OE1 GLU A 116 -4.026 25.303 -11.484 1.00 0.00 O ATOM 1834 OE2 GLU A 116 -5.407 26.988 -11.584 1.00 0.00 O ATOM 0 H GLU A 116 -9.314 23.487 -12.787 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.601 23.532 -15.043 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.496 24.215 -13.955 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -6.627 25.551 -14.042 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.234 25.204 -11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.124 23.851 -11.559 1.00 0.00 H new ATOM 1841 N HIS A 117 -6.422 21.450 -14.008 1.00 0.00 N ATOM 1842 CA HIS A 117 -5.849 20.233 -13.423 1.00 0.00 C ATOM 1843 C HIS A 117 -4.624 20.671 -12.613 1.00 0.00 C ATOM 1844 O HIS A 117 -3.531 20.833 -13.164 1.00 0.00 O ATOM 1845 CB HIS A 117 -5.453 19.200 -14.502 1.00 0.00 C ATOM 1846 CG HIS A 117 -6.602 18.701 -15.348 1.00 0.00 C ATOM 1847 ND1 HIS A 117 -6.947 17.367 -15.441 1.00 0.00 N ATOM 1848 CD2 HIS A 117 -7.480 19.362 -16.142 1.00 0.00 C ATOM 1849 CE1 HIS A 117 -7.976 17.231 -16.254 1.00 0.00 C ATOM 1850 NE2 HIS A 117 -8.319 18.425 -16.692 1.00 0.00 N ATOM 0 H HIS A 117 -6.093 21.652 -14.952 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.587 19.737 -12.792 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -4.705 19.647 -15.156 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -4.981 18.347 -14.014 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -7.513 20.428 -16.311 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -8.456 16.300 -16.516 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -9.085 18.622 -17.336 1.00 0.00 H new ATOM 1859 N HIS A 118 -4.827 20.916 -11.316 1.00 0.00 N ATOM 1860 CA HIS A 118 -3.808 21.551 -10.463 1.00 0.00 C ATOM 1861 C HIS A 118 -2.776 20.514 -9.969 1.00 0.00 C ATOM 1862 O HIS A 118 -2.936 19.892 -8.923 1.00 0.00 O ATOM 1863 CB HIS A 118 -4.474 22.364 -9.304 1.00 0.00 C ATOM 1864 CG HIS A 118 -5.368 21.582 -8.378 1.00 0.00 C ATOM 1865 ND1 HIS A 118 -4.910 21.003 -7.217 1.00 0.00 N ATOM 1866 CD2 HIS A 118 -6.691 21.304 -8.431 1.00 0.00 C ATOM 1867 CE1 HIS A 118 -5.904 20.408 -6.602 1.00 0.00 C ATOM 1868 NE2 HIS A 118 -6.997 20.570 -7.312 1.00 0.00 N ATOM 0 H HIS A 118 -5.692 20.684 -10.827 1.00 0.00 H new ATOM 0 HA HIS A 118 -3.251 22.274 -11.060 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -3.685 22.826 -8.711 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -5.058 23.173 -9.743 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -7.378 21.604 -9.209 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -5.835 19.873 -5.666 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -7.921 20.210 -7.072 1.00 0.00 H new ATOM 1877 N HIS A 119 -1.753 20.273 -10.800 1.00 0.00 N ATOM 1878 CA HIS A 119 -0.560 19.512 -10.401 1.00 0.00 C ATOM 1879 C HIS A 119 0.531 20.545 -10.058 1.00 0.00 C ATOM 1880 O HIS A 119 0.876 20.724 -8.888 1.00 0.00 O ATOM 1881 CB HIS A 119 -0.089 18.558 -11.531 1.00 0.00 C ATOM 1882 CG HIS A 119 -1.126 17.548 -11.957 1.00 0.00 C ATOM 1883 ND1 HIS A 119 -0.982 16.192 -11.764 1.00 0.00 N ATOM 1884 CD2 HIS A 119 -2.320 17.703 -12.589 1.00 0.00 C ATOM 1885 CE1 HIS A 119 -2.031 15.562 -12.258 1.00 0.00 C ATOM 1886 NE2 HIS A 119 -2.857 16.454 -12.763 1.00 0.00 N ATOM 0 H HIS A 119 -1.728 20.599 -11.766 1.00 0.00 H new ATOM 0 HA HIS A 119 -0.781 18.878 -9.542 1.00 0.00 H new ATOM 0 HB2 HIS A 119 0.200 19.153 -12.397 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.803 18.028 -11.196 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -2.764 18.638 -12.897 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -2.186 14.493 -12.249 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.750 16.249 -13.211 1.00 0.00 H new ATOM 1895 N HIS A 120 1.031 21.226 -11.121 1.00 0.00 N ATOM 1896 CA HIS A 120 1.976 22.371 -11.055 1.00 0.00 C ATOM 1897 C HIS A 120 3.235 22.059 -10.206 1.00 0.00 C ATOM 1898 O HIS A 120 4.236 21.573 -10.742 1.00 0.00 O ATOM 1899 CB HIS A 120 1.253 23.672 -10.584 1.00 0.00 C ATOM 1900 CG HIS A 120 0.222 24.185 -11.549 1.00 0.00 C ATOM 1901 ND1 HIS A 120 0.468 25.213 -12.426 1.00 0.00 N ATOM 1902 CD2 HIS A 120 -1.060 23.812 -11.762 1.00 0.00 C ATOM 1903 CE1 HIS A 120 -0.615 25.457 -13.132 1.00 0.00 C ATOM 1904 NE2 HIS A 120 -1.558 24.621 -12.749 1.00 0.00 N ATOM 0 H HIS A 120 0.779 20.985 -12.080 1.00 0.00 H new ATOM 0 HA HIS A 120 2.337 22.545 -12.069 1.00 0.00 H new ATOM 0 HB2 HIS A 120 0.773 23.481 -9.624 1.00 0.00 H new ATOM 0 HB3 HIS A 120 1.999 24.450 -10.418 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -1.592 23.024 -11.250 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -0.714 26.214 -13.896 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -2.505 24.582 -13.126 1.00 0.00 H new ATOM 1913 N HIS A 121 3.135 22.316 -8.878 1.00 0.00 N ATOM 1914 CA HIS A 121 4.201 22.103 -7.868 1.00 0.00 C ATOM 1915 C HIS A 121 5.327 23.154 -7.975 1.00 0.00 C ATOM 1916 O HIS A 121 5.576 23.878 -7.005 1.00 0.00 O ATOM 1917 CB HIS A 121 4.765 20.655 -7.895 1.00 0.00 C ATOM 1918 CG HIS A 121 3.724 19.606 -7.633 1.00 0.00 C ATOM 1919 ND1 HIS A 121 3.418 18.621 -8.541 1.00 0.00 N ATOM 1920 CD2 HIS A 121 2.901 19.417 -6.583 1.00 0.00 C ATOM 1921 CE1 HIS A 121 2.450 17.874 -8.064 1.00 0.00 C ATOM 1922 NE2 HIS A 121 2.114 18.332 -6.873 1.00 0.00 N ATOM 0 H HIS A 121 2.280 22.690 -8.467 1.00 0.00 H new ATOM 0 HA HIS A 121 3.727 22.239 -6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.222 20.469 -8.867 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.555 20.567 -7.149 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.867 20.010 -5.681 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.003 17.027 -8.563 1.00 0.00 H new ATOM 0 HE2 HIS A 121 1.390 17.944 -6.269 1.00 0.00 H new ATOM 1931 N HIS A 122 6.000 23.206 -9.150 1.00 0.00 N ATOM 1932 CA HIS A 122 7.144 24.110 -9.433 1.00 0.00 C ATOM 1933 C HIS A 122 8.378 23.691 -8.587 1.00 0.00 C ATOM 1934 O HIS A 122 9.265 22.998 -9.116 1.00 0.00 O ATOM 1935 CB HIS A 122 6.776 25.616 -9.216 1.00 0.00 C ATOM 1936 CG HIS A 122 7.923 26.581 -9.403 1.00 0.00 C ATOM 1937 ND1 HIS A 122 8.850 26.850 -8.411 1.00 0.00 N ATOM 1938 CD2 HIS A 122 8.292 27.331 -10.463 1.00 0.00 C ATOM 1939 CE1 HIS A 122 9.732 27.719 -8.858 1.00 0.00 C ATOM 1940 NE2 HIS A 122 9.416 28.029 -10.098 1.00 0.00 N ATOM 1941 OXT HIS A 122 8.436 24.034 -7.381 1.00 0.00 O ATOM 0 H HIS A 122 5.760 22.611 -9.943 1.00 0.00 H new ATOM 0 HA HIS A 122 7.399 24.009 -10.488 1.00 0.00 H new ATOM 0 HB2 HIS A 122 5.978 25.884 -9.908 1.00 0.00 H new ATOM 0 HB3 HIS A 122 6.378 25.737 -8.208 1.00 0.00 H new ATOM 0 HD2 HIS A 122 7.795 27.374 -11.421 1.00 0.00 H new ATOM 0 HE1 HIS A 122 10.571 28.111 -8.303 1.00 0.00 H new ATOM 0 HE2 HIS A 122 9.925 28.683 -10.692 1.00 0.00 H new TER 1950 HIS A 122