USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 201 ACD HO2 : A 201 ACD O2 : A 201 ACD C1 :(short bond) USER MOD Set 1.1: A 96 ASN : amide:sc= -0.734 K(o=1.6,f=-8.8!) USER MOD Set 1.2: A 99 HIS : +bothHN:sc= 2.36 K(o=1.6,f=-9.1!) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= -0.0451 USER MOD Set 2.2: A 54 MET CE :methyl 175:sc= -0.1 (180deg=-0.154) USER MOD Set 2.3: A 71 GLN : amide:sc= -6.18! C(o=-6.3!,f=-16!) USER MOD Set 3.1: A 52 ASN : amide:sc= 0.278 K(o=0.48,f=-1.8) USER MOD Set 3.2: A 53 LYS NZ :NH3+ 161:sc= 0.201 (180deg=-0.403) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -150:sc= 1.04 (180deg=0.41) USER MOD Single : A 4 THR OG1 : rot 20:sc= 0.498 USER MOD Single : A 7 THR OG1 : rot -74:sc= 1.18 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 147:sc= 1.08 USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 150:sc= -1.55! (180deg=-3.32!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 43 THR OG1 : rot -58:sc= 0.184 USER MOD Single : A 44 MET CE :methyl 160:sc= 0 (180deg=-0.0146) USER MOD Single : A 46 TYR OH : rot -92:sc= -1.14 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.014) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.32 K(o=0.32,f=-1.1) USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.156 F(o=-0.59,f=0.16) USER MOD Single : A 74 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0.026) USER MOD Single : A 83 THR OG1 : rot 86:sc= 0.0334 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc=-0.00355 (180deg=-0.159) USER MOD Single : A 92 ASN : amide:sc= -0.0409 K(o=-0.041,f=-1.3) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00179 USER MOD Single : A 95 ASN : amide:sc= -0.0172 K(o=-0.017,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ -130:sc= 0.227 (180deg=0) USER MOD Single : A 109 GLN : amide:sc=-0.00869 K(o=-0.0087,f=-0.65) USER MOD Single : A 110 LYS NZ :NH3+ 161:sc= -0.0837 (180deg=-0.465) USER MOD Single : A 111 ASN : amide:sc= 0.0219 X(o=0.022,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.99 K(o=0.99,f=-0.46) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 79:sc= -3.81! USER MOD Single : A 121 LYS NZ :NH3+ -165:sc= -0.0917 (180deg=-0.382) USER MOD Single : A 122 LYS NZ :NH3+ 156:sc= 1.2 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.769 13.605 -12.879 1.00 0.00 N ATOM 2 CA MET A 1 17.524 12.815 -12.732 1.00 0.00 C ATOM 3 C MET A 1 17.340 12.402 -11.281 1.00 0.00 C ATOM 4 O MET A 1 17.567 11.247 -10.909 1.00 0.00 O ATOM 5 CB MET A 1 17.556 11.578 -13.634 1.00 0.00 C ATOM 6 CG MET A 1 17.458 11.895 -15.117 1.00 0.00 C ATOM 7 SD MET A 1 17.548 10.416 -16.144 1.00 0.00 S ATOM 8 CE MET A 1 17.362 11.126 -17.778 1.00 0.00 C ATOM 0 H1 MET A 1 18.660 14.283 -13.660 1.00 0.00 H new ATOM 0 H2 MET A 1 18.959 14.121 -11.996 1.00 0.00 H new ATOM 0 H3 MET A 1 19.563 12.966 -13.084 1.00 0.00 H new ATOM 0 HA MET A 1 16.682 13.437 -13.035 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.480 11.030 -13.450 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.734 10.918 -13.358 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.520 12.414 -15.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.263 12.576 -15.394 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.397 10.333 -18.525 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.405 11.644 -17.843 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.171 11.834 -17.961 1.00 0.00 H new ATOM 20 N GLU A 2 16.932 13.358 -10.466 1.00 0.00 N ATOM 21 CA GLU A 2 16.772 13.144 -9.041 1.00 0.00 C ATOM 22 C GLU A 2 15.487 12.386 -8.766 1.00 0.00 C ATOM 23 O GLU A 2 14.443 12.681 -9.352 1.00 0.00 O ATOM 24 CB GLU A 2 16.780 14.480 -8.294 1.00 0.00 C ATOM 25 CG GLU A 2 18.130 15.190 -8.283 1.00 0.00 C ATOM 26 CD GLU A 2 18.557 15.700 -9.645 1.00 0.00 C ATOM 27 OE1 GLU A 2 18.217 16.852 -9.982 1.00 0.00 O ATOM 28 OE2 GLU A 2 19.240 14.956 -10.387 1.00 0.00 O ATOM 0 H GLU A 2 16.703 14.303 -10.774 1.00 0.00 H new ATOM 0 HA GLU A 2 17.610 12.547 -8.682 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.040 15.140 -8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.466 14.308 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 2 18.085 16.028 -7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 2 18.889 14.504 -7.906 1.00 0.00 H new ATOM 35 N PHE A 3 15.576 11.396 -7.893 1.00 0.00 N ATOM 36 CA PHE A 3 14.432 10.564 -7.561 1.00 0.00 C ATOM 37 C PHE A 3 13.397 11.352 -6.775 1.00 0.00 C ATOM 38 O PHE A 3 13.637 11.778 -5.644 1.00 0.00 O ATOM 39 CB PHE A 3 14.870 9.326 -6.776 1.00 0.00 C ATOM 40 CG PHE A 3 13.733 8.436 -6.360 1.00 0.00 C ATOM 41 CD1 PHE A 3 12.998 7.746 -7.308 1.00 0.00 C ATOM 42 CD2 PHE A 3 13.405 8.285 -5.023 1.00 0.00 C ATOM 43 CE1 PHE A 3 11.954 6.923 -6.933 1.00 0.00 C ATOM 44 CE2 PHE A 3 12.362 7.463 -4.640 1.00 0.00 C ATOM 45 CZ PHE A 3 11.636 6.782 -5.597 1.00 0.00 C ATOM 0 H PHE A 3 16.434 11.148 -7.399 1.00 0.00 H new ATOM 0 HA PHE A 3 13.975 10.236 -8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 3 15.566 8.749 -7.385 1.00 0.00 H new ATOM 0 HB3 PHE A 3 15.413 9.645 -5.886 1.00 0.00 H new ATOM 0 HD1 PHE A 3 13.244 7.852 -8.354 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.971 8.815 -4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.388 6.391 -7.683 1.00 0.00 H new ATOM 0 HE2 PHE A 3 12.115 7.354 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.820 6.140 -5.301 1.00 0.00 H new ATOM 55 N THR A 4 12.251 11.548 -7.395 1.00 0.00 N ATOM 56 CA THR A 4 11.154 12.238 -6.759 1.00 0.00 C ATOM 57 C THR A 4 10.168 11.227 -6.203 1.00 0.00 C ATOM 58 O THR A 4 9.609 10.408 -6.937 1.00 0.00 O ATOM 59 CB THR A 4 10.437 13.193 -7.730 1.00 0.00 C ATOM 60 OG1 THR A 4 9.792 12.468 -8.789 1.00 0.00 O ATOM 61 CG2 THR A 4 11.434 14.170 -8.318 1.00 0.00 C ATOM 0 H THR A 4 12.057 11.235 -8.346 1.00 0.00 H new ATOM 0 HA THR A 4 11.563 12.840 -5.948 1.00 0.00 H new ATOM 0 HB THR A 4 9.674 13.736 -7.171 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.664 11.535 -8.516 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.922 14.844 -9.005 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.892 14.749 -7.516 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.206 13.621 -8.857 1.00 0.00 H new ATOM 69 N VAL A 5 9.987 11.276 -4.900 1.00 0.00 N ATOM 70 CA VAL A 5 9.105 10.348 -4.215 1.00 0.00 C ATOM 71 C VAL A 5 7.683 10.884 -4.239 1.00 0.00 C ATOM 72 O VAL A 5 7.470 12.097 -4.314 1.00 0.00 O ATOM 73 CB VAL A 5 9.551 10.102 -2.744 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.062 10.193 -2.618 1.00 0.00 C ATOM 75 CG2 VAL A 5 8.878 11.051 -1.764 1.00 0.00 C ATOM 0 H VAL A 5 10.442 11.953 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 5 9.153 9.393 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 5 9.232 9.093 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.352 10.018 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.526 9.442 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.394 11.185 -2.925 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.224 10.836 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.129 12.080 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.797 10.918 -1.813 1.00 0.00 H new ATOM 85 N SER A 6 6.717 9.982 -4.220 1.00 0.00 N ATOM 86 CA SER A 6 5.326 10.372 -4.123 1.00 0.00 C ATOM 87 C SER A 6 5.046 10.908 -2.721 1.00 0.00 C ATOM 88 O SER A 6 4.719 10.156 -1.803 1.00 0.00 O ATOM 89 CB SER A 6 4.420 9.188 -4.466 1.00 0.00 C ATOM 90 OG SER A 6 4.858 8.000 -3.825 1.00 0.00 O ATOM 0 H SER A 6 6.873 8.975 -4.271 1.00 0.00 H new ATOM 0 HA SER A 6 5.114 11.164 -4.841 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.397 9.411 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.408 9.038 -5.546 1.00 0.00 H new ATOM 0 HG SER A 6 4.259 7.261 -4.061 1.00 0.00 H new ATOM 96 N THR A 7 5.220 12.216 -2.564 1.00 0.00 N ATOM 97 CA THR A 7 5.101 12.870 -1.270 1.00 0.00 C ATOM 98 C THR A 7 3.670 12.833 -0.745 1.00 0.00 C ATOM 99 O THR A 7 2.760 12.350 -1.423 1.00 0.00 O ATOM 100 CB THR A 7 5.562 14.342 -1.348 1.00 0.00 C ATOM 101 OG1 THR A 7 4.795 15.048 -2.335 1.00 0.00 O ATOM 102 CG2 THR A 7 7.041 14.435 -1.692 1.00 0.00 C ATOM 0 H THR A 7 5.447 12.850 -3.330 1.00 0.00 H new ATOM 0 HA THR A 7 5.744 12.318 -0.584 1.00 0.00 H new ATOM 0 HB THR A 7 5.404 14.796 -0.370 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.088 14.779 -3.231 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.338 15.483 -1.740 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.626 13.927 -0.925 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.220 13.962 -2.658 1.00 0.00 H new ATOM 110 N THR A 8 3.473 13.349 0.461 1.00 0.00 N ATOM 111 CA THR A 8 2.147 13.449 1.038 1.00 0.00 C ATOM 112 C THR A 8 1.217 14.216 0.097 1.00 0.00 C ATOM 113 O THR A 8 0.070 13.826 -0.120 1.00 0.00 O ATOM 114 CB THR A 8 2.208 14.158 2.401 1.00 0.00 C ATOM 115 OG1 THR A 8 3.331 13.670 3.151 1.00 0.00 O ATOM 116 CG2 THR A 8 0.931 13.922 3.191 1.00 0.00 C ATOM 0 H THR A 8 4.220 13.705 1.057 1.00 0.00 H new ATOM 0 HA THR A 8 1.757 12.441 1.181 1.00 0.00 H new ATOM 0 HB THR A 8 2.317 15.228 2.227 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.368 14.125 4.018 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.998 14.433 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.080 14.310 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.798 12.853 3.357 1.00 0.00 H new ATOM 124 N GLU A 9 1.745 15.289 -0.484 1.00 0.00 N ATOM 125 CA GLU A 9 0.996 16.111 -1.421 1.00 0.00 C ATOM 126 C GLU A 9 0.624 15.319 -2.677 1.00 0.00 C ATOM 127 O GLU A 9 -0.497 15.422 -3.174 1.00 0.00 O ATOM 128 CB GLU A 9 1.795 17.361 -1.797 1.00 0.00 C ATOM 129 CG GLU A 9 1.958 18.365 -0.658 1.00 0.00 C ATOM 130 CD GLU A 9 2.811 17.851 0.490 1.00 0.00 C ATOM 131 OE1 GLU A 9 2.479 18.137 1.663 1.00 0.00 O ATOM 132 OE2 GLU A 9 3.814 17.157 0.229 1.00 0.00 O ATOM 0 H GLU A 9 2.699 15.610 -0.318 1.00 0.00 H new ATOM 0 HA GLU A 9 0.073 16.420 -0.931 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.783 17.057 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.303 17.855 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.405 19.278 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.972 18.631 -0.276 1.00 0.00 H new ATOM 139 N ASP A 10 1.565 14.526 -3.189 1.00 0.00 N ATOM 140 CA ASP A 10 1.291 13.671 -4.347 1.00 0.00 C ATOM 141 C ASP A 10 0.225 12.644 -3.995 1.00 0.00 C ATOM 142 O ASP A 10 -0.668 12.357 -4.794 1.00 0.00 O ATOM 143 CB ASP A 10 2.545 12.940 -4.845 1.00 0.00 C ATOM 144 CG ASP A 10 3.637 13.870 -5.337 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.684 13.976 -4.664 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.460 14.490 -6.407 1.00 0.00 O ATOM 0 H ASP A 10 2.515 14.457 -2.825 1.00 0.00 H new ATOM 0 HA ASP A 10 0.942 14.323 -5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.941 12.324 -4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.264 12.264 -5.653 1.00 0.00 H new ATOM 151 N LEU A 11 0.314 12.109 -2.785 1.00 0.00 N ATOM 152 CA LEU A 11 -0.635 11.112 -2.316 1.00 0.00 C ATOM 153 C LEU A 11 -2.045 11.696 -2.246 1.00 0.00 C ATOM 154 O LEU A 11 -3.027 11.019 -2.553 1.00 0.00 O ATOM 155 CB LEU A 11 -0.201 10.555 -0.956 1.00 0.00 C ATOM 156 CG LEU A 11 -1.139 9.515 -0.357 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.209 8.296 -1.259 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.680 9.126 1.038 1.00 0.00 C ATOM 0 H LEU A 11 1.038 12.351 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.650 10.289 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.789 10.112 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.106 11.384 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.137 9.946 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.882 7.558 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.581 8.590 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.214 7.863 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.361 8.382 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.325 8.708 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.674 10.008 1.678 1.00 0.00 H new ATOM 170 N GLN A 12 -2.129 12.976 -1.892 1.00 0.00 N ATOM 171 CA GLN A 12 -3.413 13.663 -1.775 1.00 0.00 C ATOM 172 C GLN A 12 -4.086 13.808 -3.137 1.00 0.00 C ATOM 173 O GLN A 12 -5.295 14.032 -3.231 1.00 0.00 O ATOM 174 CB GLN A 12 -3.234 15.039 -1.136 1.00 0.00 C ATOM 175 CG GLN A 12 -2.856 15.000 0.336 1.00 0.00 C ATOM 176 CD GLN A 12 -2.689 16.382 0.931 1.00 0.00 C ATOM 177 OE1 GLN A 12 -2.306 17.328 0.246 1.00 0.00 O ATOM 178 NE2 GLN A 12 -2.979 16.510 2.214 1.00 0.00 N ATOM 0 H GLN A 12 -1.320 13.560 -1.680 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.054 13.056 -1.135 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.464 15.583 -1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.161 15.601 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.624 14.460 0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.927 14.443 0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.294 15.701 2.749 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.888 17.418 2.669 1.00 0.00 H new ATOM 187 N ARG A 13 -3.295 13.683 -4.189 1.00 0.00 N ATOM 188 CA ARG A 13 -3.804 13.755 -5.548 1.00 0.00 C ATOM 189 C ARG A 13 -4.535 12.467 -5.914 1.00 0.00 C ATOM 190 O ARG A 13 -5.617 12.494 -6.506 1.00 0.00 O ATOM 191 CB ARG A 13 -2.648 13.995 -6.519 1.00 0.00 C ATOM 192 CG ARG A 13 -3.076 14.105 -7.971 1.00 0.00 C ATOM 193 CD ARG A 13 -1.879 14.268 -8.892 1.00 0.00 C ATOM 194 NE ARG A 13 -1.053 15.416 -8.522 1.00 0.00 N ATOM 195 CZ ARG A 13 0.149 15.665 -9.037 1.00 0.00 C ATOM 196 NH1 ARG A 13 0.680 14.843 -9.934 1.00 0.00 N ATOM 197 NH2 ARG A 13 0.825 16.736 -8.646 1.00 0.00 N ATOM 0 H ARG A 13 -2.289 13.530 -4.126 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.509 14.583 -5.616 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.130 14.911 -6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.931 13.180 -6.423 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.637 13.214 -8.255 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.747 14.956 -8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.274 13.362 -8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.226 14.387 -9.919 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.420 16.066 -7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.166 14.014 -10.233 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.602 15.040 -10.324 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.424 17.367 -7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.746 16.929 -9.039 1.00 0.00 H new ATOM 211 N TYR A 14 -3.946 11.339 -5.537 1.00 0.00 N ATOM 212 CA TYR A 14 -4.490 10.035 -5.897 1.00 0.00 C ATOM 213 C TYR A 14 -5.706 9.693 -5.047 1.00 0.00 C ATOM 214 O TYR A 14 -6.523 8.858 -5.435 1.00 0.00 O ATOM 215 CB TYR A 14 -3.418 8.954 -5.766 1.00 0.00 C ATOM 216 CG TYR A 14 -2.146 9.308 -6.505 1.00 0.00 C ATOM 217 CD1 TYR A 14 -2.188 9.660 -7.848 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.912 9.307 -5.867 1.00 0.00 C ATOM 219 CE1 TYR A 14 -1.040 9.999 -8.532 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.243 9.645 -6.547 1.00 0.00 C ATOM 221 CZ TYR A 14 0.173 9.992 -7.878 1.00 0.00 C ATOM 222 OH TYR A 14 1.320 10.334 -8.557 1.00 0.00 O ATOM 0 H TYR A 14 -3.091 11.301 -4.982 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.812 10.079 -6.937 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.191 8.798 -4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.808 8.012 -6.151 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.136 9.668 -8.365 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.854 9.038 -4.823 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.091 10.269 -9.576 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.195 9.637 -6.037 1.00 0.00 H new ATOM 0 HH TYR A 14 2.088 10.279 -7.951 1.00 0.00 H new ATOM 232 N ARG A 15 -5.815 10.343 -3.890 1.00 0.00 N ATOM 233 CA ARG A 15 -7.012 10.230 -3.048 1.00 0.00 C ATOM 234 C ARG A 15 -8.256 10.478 -3.886 1.00 0.00 C ATOM 235 O ARG A 15 -9.064 9.581 -4.100 1.00 0.00 O ATOM 236 CB ARG A 15 -7.007 11.253 -1.904 1.00 0.00 C ATOM 237 CG ARG A 15 -5.756 11.251 -1.043 1.00 0.00 C ATOM 238 CD ARG A 15 -5.895 10.285 0.125 1.00 0.00 C ATOM 239 NE ARG A 15 -7.004 10.675 0.992 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.322 10.070 2.131 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.621 9.032 2.560 1.00 0.00 N ATOM 242 NH2 ARG A 15 -8.353 10.513 2.839 1.00 0.00 N ATOM 0 H ARG A 15 -5.091 10.954 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.013 9.224 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.136 12.249 -2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.869 11.064 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.894 10.972 -1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.568 12.257 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.059 9.275 -0.250 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.968 10.265 0.699 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.575 11.469 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.829 8.691 2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.872 8.574 3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.894 11.312 2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.605 10.055 3.715 1.00 0.00 H new ATOM 256 N THR A 16 -8.378 11.707 -4.365 1.00 0.00 N ATOM 257 CA THR A 16 -9.521 12.138 -5.151 1.00 0.00 C ATOM 258 C THR A 16 -9.770 11.231 -6.352 1.00 0.00 C ATOM 259 O THR A 16 -10.898 10.796 -6.580 1.00 0.00 O ATOM 260 CB THR A 16 -9.300 13.580 -5.633 1.00 0.00 C ATOM 261 OG1 THR A 16 -9.364 14.475 -4.516 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.319 13.979 -6.685 1.00 0.00 C ATOM 0 H THR A 16 -7.681 12.437 -4.217 1.00 0.00 H new ATOM 0 HA THR A 16 -10.400 12.084 -4.509 1.00 0.00 H new ATOM 0 HB THR A 16 -8.313 13.639 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.221 15.394 -4.825 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.132 15.005 -7.002 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.236 13.313 -7.544 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.322 13.906 -6.266 1.00 0.00 H new ATOM 270 N GLU A 17 -8.715 10.952 -7.106 1.00 0.00 N ATOM 271 CA GLU A 17 -8.822 10.131 -8.308 1.00 0.00 C ATOM 272 C GLU A 17 -9.507 8.798 -7.999 1.00 0.00 C ATOM 273 O GLU A 17 -10.523 8.451 -8.603 1.00 0.00 O ATOM 274 CB GLU A 17 -7.421 9.931 -8.915 1.00 0.00 C ATOM 275 CG GLU A 17 -7.178 8.581 -9.577 1.00 0.00 C ATOM 276 CD GLU A 17 -7.872 8.446 -10.920 1.00 0.00 C ATOM 277 OE1 GLU A 17 -8.986 7.885 -10.973 1.00 0.00 O ATOM 278 OE2 GLU A 17 -7.298 8.896 -11.936 1.00 0.00 O ATOM 0 H GLU A 17 -7.771 11.283 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.445 10.641 -9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.249 10.714 -9.654 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.680 10.068 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.106 8.436 -9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.525 7.789 -8.913 1.00 0.00 H new ATOM 285 N CYS A 18 -8.976 8.084 -7.022 1.00 0.00 N ATOM 286 CA CYS A 18 -9.499 6.776 -6.663 1.00 0.00 C ATOM 287 C CYS A 18 -10.842 6.888 -5.957 1.00 0.00 C ATOM 288 O CYS A 18 -11.704 6.026 -6.111 1.00 0.00 O ATOM 289 CB CYS A 18 -8.491 6.037 -5.795 1.00 0.00 C ATOM 290 SG CYS A 18 -6.926 5.708 -6.662 1.00 0.00 S ATOM 0 H CYS A 18 -8.180 8.389 -6.461 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.661 6.208 -7.579 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.289 6.625 -4.900 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.925 5.093 -5.466 1.00 0.00 H new ATOM 295 N VAL A 19 -11.029 7.962 -5.207 1.00 0.00 N ATOM 296 CA VAL A 19 -12.275 8.188 -4.500 1.00 0.00 C ATOM 297 C VAL A 19 -13.413 8.433 -5.481 1.00 0.00 C ATOM 298 O VAL A 19 -14.439 7.750 -5.443 1.00 0.00 O ATOM 299 CB VAL A 19 -12.159 9.366 -3.507 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.524 9.957 -3.190 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.474 8.901 -2.232 1.00 0.00 C ATOM 0 H VAL A 19 -10.330 8.692 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.494 7.288 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.559 10.148 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.409 10.784 -2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.985 10.322 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.158 9.190 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.395 9.736 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.058 8.102 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.477 8.531 -2.469 1.00 0.00 H new ATOM 311 N SER A 20 -13.207 9.389 -6.369 1.00 0.00 N ATOM 312 CA SER A 20 -14.213 9.773 -7.343 1.00 0.00 C ATOM 313 C SER A 20 -14.525 8.623 -8.306 1.00 0.00 C ATOM 314 O SER A 20 -15.683 8.401 -8.664 1.00 0.00 O ATOM 315 CB SER A 20 -13.721 11.002 -8.113 1.00 0.00 C ATOM 316 OG SER A 20 -14.740 11.560 -8.924 1.00 0.00 O ATOM 0 H SER A 20 -12.339 9.920 -6.435 1.00 0.00 H new ATOM 0 HA SER A 20 -15.137 10.015 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.366 11.754 -7.408 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.872 10.723 -8.737 1.00 0.00 H new ATOM 0 HG SER A 20 -14.389 12.343 -9.398 1.00 0.00 H new ATOM 322 N SER A 21 -13.497 7.878 -8.706 1.00 0.00 N ATOM 323 CA SER A 21 -13.669 6.809 -9.681 1.00 0.00 C ATOM 324 C SER A 21 -14.332 5.579 -9.060 1.00 0.00 C ATOM 325 O SER A 21 -15.250 5.005 -9.646 1.00 0.00 O ATOM 326 CB SER A 21 -12.314 6.435 -10.280 1.00 0.00 C ATOM 327 OG SER A 21 -11.747 7.537 -10.976 1.00 0.00 O ATOM 0 H SER A 21 -12.541 7.996 -8.371 1.00 0.00 H new ATOM 0 HA SER A 21 -14.328 7.173 -10.469 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.638 6.113 -9.488 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.433 5.592 -10.960 1.00 0.00 H new ATOM 0 HG SER A 21 -10.771 7.510 -10.891 1.00 0.00 H new ATOM 333 N LEU A 22 -13.884 5.184 -7.872 1.00 0.00 N ATOM 334 CA LEU A 22 -14.412 3.986 -7.223 1.00 0.00 C ATOM 335 C LEU A 22 -15.681 4.284 -6.426 1.00 0.00 C ATOM 336 O LEU A 22 -16.176 3.425 -5.695 1.00 0.00 O ATOM 337 CB LEU A 22 -13.355 3.369 -6.311 1.00 0.00 C ATOM 338 CG LEU A 22 -12.146 2.791 -7.038 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.062 2.420 -6.044 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.551 1.578 -7.852 1.00 0.00 C ATOM 0 H LEU A 22 -13.162 5.671 -7.341 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.672 3.276 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.011 4.129 -5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.820 2.579 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.753 3.549 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.205 2.009 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.754 3.309 -5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.447 1.676 -5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.677 1.176 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.965 0.817 -7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.302 1.867 -8.587 1.00 0.00 H new ATOM 352 N ASN A 23 -16.194 5.506 -6.577 1.00 0.00 N ATOM 353 CA ASN A 23 -17.421 5.942 -5.899 1.00 0.00 C ATOM 354 C ASN A 23 -17.312 5.779 -4.384 1.00 0.00 C ATOM 355 O ASN A 23 -18.301 5.479 -3.710 1.00 0.00 O ATOM 356 CB ASN A 23 -18.631 5.163 -6.415 1.00 0.00 C ATOM 357 CG ASN A 23 -18.836 5.306 -7.910 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.496 6.331 -8.506 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.397 4.281 -8.530 1.00 0.00 N ATOM 0 H ASN A 23 -15.774 6.221 -7.170 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.555 7.000 -6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.508 4.108 -6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.526 5.508 -5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.562 4.322 -9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.665 3.450 -8.002 1.00 0.00 H new ATOM 366 N ILE A 24 -16.108 5.977 -3.861 1.00 0.00 N ATOM 367 CA ILE A 24 -15.855 5.858 -2.435 1.00 0.00 C ATOM 368 C ILE A 24 -16.664 6.893 -1.660 1.00 0.00 C ATOM 369 O ILE A 24 -16.552 8.094 -1.915 1.00 0.00 O ATOM 370 CB ILE A 24 -14.355 6.052 -2.120 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.487 5.143 -3.006 1.00 0.00 C ATOM 372 CG2 ILE A 24 -14.084 5.776 -0.648 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.696 3.658 -2.778 1.00 0.00 C ATOM 0 H ILE A 24 -15.286 6.223 -4.412 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.156 4.856 -2.130 1.00 0.00 H new ATOM 0 HB ILE A 24 -14.092 7.087 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.695 5.370 -4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.438 5.381 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.023 5.917 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.668 6.463 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.367 4.750 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.044 3.092 -3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.459 3.412 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.735 3.401 -2.983 1.00 0.00 H new ATOM 385 N PRO A 25 -17.503 6.436 -0.718 1.00 0.00 N ATOM 386 CA PRO A 25 -18.300 7.326 0.127 1.00 0.00 C ATOM 387 C PRO A 25 -17.418 8.263 0.940 1.00 0.00 C ATOM 388 O PRO A 25 -16.367 7.866 1.453 1.00 0.00 O ATOM 389 CB PRO A 25 -19.060 6.378 1.056 1.00 0.00 C ATOM 390 CG PRO A 25 -18.999 5.043 0.409 1.00 0.00 C ATOM 391 CD PRO A 25 -17.731 5.019 -0.401 1.00 0.00 C ATOM 0 HA PRO A 25 -18.956 7.966 -0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.606 6.354 2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.092 6.703 1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.997 4.249 1.156 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.869 4.880 -0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.901 4.595 0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.842 4.418 -1.304 1.00 0.00 H new ATOM 399 N ALA A 26 -17.868 9.510 1.044 1.00 0.00 N ATOM 400 CA ALA A 26 -17.131 10.566 1.733 1.00 0.00 C ATOM 401 C ALA A 26 -16.784 10.171 3.163 1.00 0.00 C ATOM 402 O ALA A 26 -15.747 10.568 3.682 1.00 0.00 O ATOM 403 CB ALA A 26 -17.944 11.845 1.732 1.00 0.00 C ATOM 0 H ALA A 26 -18.758 9.818 0.651 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.195 10.725 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.389 12.629 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.137 12.153 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.891 11.674 2.244 1.00 0.00 H new ATOM 409 N ASP A 27 -17.668 9.400 3.791 1.00 0.00 N ATOM 410 CA ASP A 27 -17.427 8.883 5.139 1.00 0.00 C ATOM 411 C ASP A 27 -16.110 8.115 5.204 1.00 0.00 C ATOM 412 O ASP A 27 -15.263 8.387 6.057 1.00 0.00 O ATOM 413 CB ASP A 27 -18.576 7.977 5.575 1.00 0.00 C ATOM 414 CG ASP A 27 -18.359 7.392 6.958 1.00 0.00 C ATOM 415 OD1 ASP A 27 -18.631 8.096 7.954 1.00 0.00 O ATOM 416 OD2 ASP A 27 -17.927 6.227 7.062 1.00 0.00 O ATOM 0 H ASP A 27 -18.561 9.118 3.388 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.365 9.734 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.506 8.545 5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.690 7.167 4.855 1.00 0.00 H new ATOM 421 N TYR A 28 -15.943 7.157 4.293 1.00 0.00 N ATOM 422 CA TYR A 28 -14.711 6.390 4.203 1.00 0.00 C ATOM 423 C TYR A 28 -13.511 7.301 3.968 1.00 0.00 C ATOM 424 O TYR A 28 -12.444 7.082 4.529 1.00 0.00 O ATOM 425 CB TYR A 28 -14.807 5.361 3.075 1.00 0.00 C ATOM 426 CG TYR A 28 -15.609 4.129 3.432 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.984 2.969 3.878 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.991 4.124 3.315 1.00 0.00 C ATOM 429 CE1 TYR A 28 -15.716 1.841 4.194 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.730 3.002 3.631 1.00 0.00 C ATOM 431 CZ TYR A 28 -17.088 1.863 4.069 1.00 0.00 C ATOM 432 OH TYR A 28 -17.822 0.742 4.381 1.00 0.00 O ATOM 0 H TYR A 28 -16.651 6.896 3.607 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.570 5.873 5.152 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -15.257 5.835 2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.800 5.056 2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.909 2.950 3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.498 5.013 2.971 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -15.216 0.947 4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.806 3.016 3.536 1.00 0.00 H new ATOM 0 HH TYR A 28 -18.774 0.925 4.239 1.00 0.00 H new ATOM 442 N VAL A 29 -13.701 8.328 3.144 1.00 0.00 N ATOM 443 CA VAL A 29 -12.634 9.265 2.810 1.00 0.00 C ATOM 444 C VAL A 29 -12.061 9.929 4.062 1.00 0.00 C ATOM 445 O VAL A 29 -10.840 9.975 4.250 1.00 0.00 O ATOM 446 CB VAL A 29 -13.132 10.344 1.834 1.00 0.00 C ATOM 447 CG1 VAL A 29 -12.015 11.314 1.488 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.683 9.694 0.580 1.00 0.00 C ATOM 0 H VAL A 29 -14.592 8.533 2.692 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.842 8.691 2.329 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.930 10.908 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.390 12.069 0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.660 11.799 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.193 10.771 1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.033 10.465 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.899 9.110 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.513 9.039 0.844 1.00 0.00 H new ATOM 458 N GLU A 30 -12.946 10.425 4.928 1.00 0.00 N ATOM 459 CA GLU A 30 -12.521 11.064 6.173 1.00 0.00 C ATOM 460 C GLU A 30 -11.794 10.059 7.052 1.00 0.00 C ATOM 461 O GLU A 30 -10.820 10.387 7.731 1.00 0.00 O ATOM 462 CB GLU A 30 -13.719 11.611 6.942 1.00 0.00 C ATOM 463 CG GLU A 30 -14.795 12.204 6.061 1.00 0.00 C ATOM 464 CD GLU A 30 -15.936 12.787 6.865 1.00 0.00 C ATOM 465 OE1 GLU A 30 -16.560 12.040 7.648 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.219 13.994 6.720 1.00 0.00 O ATOM 0 H GLU A 30 -13.956 10.397 4.791 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.855 11.888 5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.153 10.808 7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.373 12.374 7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.360 12.982 5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.180 11.434 5.393 1.00 0.00 H new ATOM 473 N LYS A 31 -12.275 8.828 7.020 1.00 0.00 N ATOM 474 CA LYS A 31 -11.737 7.768 7.847 1.00 0.00 C ATOM 475 C LYS A 31 -10.352 7.319 7.352 1.00 0.00 C ATOM 476 O LYS A 31 -9.465 7.053 8.157 1.00 0.00 O ATOM 477 CB LYS A 31 -12.753 6.621 7.909 1.00 0.00 C ATOM 478 CG LYS A 31 -12.286 5.296 7.343 1.00 0.00 C ATOM 479 CD LYS A 31 -13.275 4.178 7.654 1.00 0.00 C ATOM 480 CE LYS A 31 -13.195 3.694 9.112 1.00 0.00 C ATOM 481 NZ LYS A 31 -13.555 4.743 10.104 1.00 0.00 N ATOM 0 H LYS A 31 -13.048 8.538 6.421 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.578 8.134 8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.039 6.470 8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.651 6.927 7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.161 5.384 6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.309 5.046 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.287 4.527 7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.086 3.337 6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.860 2.840 9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.183 3.344 9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.971 4.296 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.701 5.270 10.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.245 5.397 9.683 1.00 0.00 H new ATOM 495 N PHE A 32 -10.152 7.276 6.031 1.00 0.00 N ATOM 496 CA PHE A 32 -8.842 6.950 5.471 1.00 0.00 C ATOM 497 C PHE A 32 -7.842 8.044 5.814 1.00 0.00 C ATOM 498 O PHE A 32 -6.655 7.788 5.992 1.00 0.00 O ATOM 499 CB PHE A 32 -8.902 6.786 3.948 1.00 0.00 C ATOM 500 CG PHE A 32 -9.846 5.719 3.468 1.00 0.00 C ATOM 501 CD1 PHE A 32 -10.007 4.539 4.176 1.00 0.00 C ATOM 502 CD2 PHE A 32 -10.564 5.893 2.296 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.865 3.558 3.727 1.00 0.00 C ATOM 504 CE2 PHE A 32 -11.426 4.913 1.843 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.576 3.744 2.559 1.00 0.00 C ATOM 0 H PHE A 32 -10.876 7.462 5.337 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.526 6.002 5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.195 7.738 3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.901 6.559 3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.454 4.386 5.091 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.449 6.805 1.730 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.981 2.643 4.290 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.982 5.062 0.929 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.248 2.976 2.206 1.00 0.00 H new ATOM 515 N LYS A 33 -8.346 9.270 5.907 1.00 0.00 N ATOM 516 CA LYS A 33 -7.536 10.427 6.263 1.00 0.00 C ATOM 517 C LYS A 33 -6.912 10.227 7.644 1.00 0.00 C ATOM 518 O LYS A 33 -5.782 10.641 7.896 1.00 0.00 O ATOM 519 CB LYS A 33 -8.419 11.674 6.260 1.00 0.00 C ATOM 520 CG LYS A 33 -7.665 12.965 6.013 1.00 0.00 C ATOM 521 CD LYS A 33 -8.632 14.130 5.868 1.00 0.00 C ATOM 522 CE LYS A 33 -7.911 15.438 5.597 1.00 0.00 C ATOM 523 NZ LYS A 33 -8.864 16.561 5.392 1.00 0.00 N ATOM 0 H LYS A 33 -9.328 9.488 5.737 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.733 10.548 5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.186 11.561 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.934 11.744 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.979 13.155 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.060 12.873 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.328 13.924 5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.225 14.225 6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.251 15.669 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.281 15.330 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.334 17.437 5.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.477 16.352 4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.448 16.681 6.244 1.00 0.00 H new ATOM 537 N LYS A 34 -7.656 9.556 8.519 1.00 0.00 N ATOM 538 CA LYS A 34 -7.191 9.259 9.870 1.00 0.00 C ATOM 539 C LYS A 34 -6.440 7.926 9.913 1.00 0.00 C ATOM 540 O LYS A 34 -6.302 7.316 10.975 1.00 0.00 O ATOM 541 CB LYS A 34 -8.379 9.217 10.838 1.00 0.00 C ATOM 542 CG LYS A 34 -9.093 10.551 10.990 1.00 0.00 C ATOM 543 CD LYS A 34 -10.238 10.466 11.988 1.00 0.00 C ATOM 544 CE LYS A 34 -11.322 9.501 11.532 1.00 0.00 C ATOM 545 NZ LYS A 34 -12.424 9.393 12.526 1.00 0.00 N ATOM 0 H LYS A 34 -8.591 9.205 8.314 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.505 10.050 10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.093 8.471 10.490 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.027 8.890 11.816 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.381 11.309 11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.478 10.870 10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.852 10.146 12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.670 11.457 12.129 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.727 9.835 10.577 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.885 8.516 11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.142 8.726 12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.043 9.050 13.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.859 10.328 12.665 1.00 0.00 H new ATOM 559 N TRP A 35 -5.949 7.498 8.750 1.00 0.00 N ATOM 560 CA TRP A 35 -5.261 6.215 8.593 1.00 0.00 C ATOM 561 C TRP A 35 -6.075 5.048 9.158 1.00 0.00 C ATOM 562 O TRP A 35 -5.532 4.149 9.808 1.00 0.00 O ATOM 563 CB TRP A 35 -3.877 6.271 9.239 1.00 0.00 C ATOM 564 CG TRP A 35 -2.934 7.209 8.543 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.853 8.559 8.718 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.939 6.871 7.565 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.871 9.082 7.915 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.296 8.068 7.198 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.527 5.677 6.963 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.268 8.106 6.260 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.505 5.717 6.033 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.115 6.922 5.689 1.00 0.00 C ATOM 0 H TRP A 35 -6.017 8.034 7.885 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.147 6.036 7.524 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.982 6.578 10.280 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.445 5.270 9.244 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.472 9.133 9.391 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.612 10.067 7.861 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.999 4.740 7.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.210 9.036 5.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.179 4.800 5.563 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.911 6.919 4.959 1.00 0.00 H new ATOM 583 N GLU A 36 -7.376 5.065 8.902 1.00 0.00 N ATOM 584 CA GLU A 36 -8.250 3.973 9.298 1.00 0.00 C ATOM 585 C GLU A 36 -8.604 3.137 8.084 1.00 0.00 C ATOM 586 O GLU A 36 -9.340 3.586 7.206 1.00 0.00 O ATOM 587 CB GLU A 36 -9.533 4.499 9.939 1.00 0.00 C ATOM 588 CG GLU A 36 -9.302 5.407 11.125 1.00 0.00 C ATOM 589 CD GLU A 36 -10.593 5.862 11.770 1.00 0.00 C ATOM 590 OE1 GLU A 36 -11.536 6.236 11.039 1.00 0.00 O ATOM 591 OE2 GLU A 36 -10.672 5.848 13.018 1.00 0.00 O ATOM 0 H GLU A 36 -7.850 5.828 8.419 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.721 3.363 10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.107 5.040 9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.142 3.652 10.256 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.695 4.885 11.865 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.733 6.280 10.804 1.00 0.00 H new ATOM 598 N PHE A 37 -8.077 1.930 8.028 1.00 0.00 N ATOM 599 CA PHE A 37 -8.334 1.051 6.899 1.00 0.00 C ATOM 600 C PHE A 37 -9.023 -0.226 7.365 1.00 0.00 C ATOM 601 O PHE A 37 -8.362 -1.227 7.647 1.00 0.00 O ATOM 602 CB PHE A 37 -7.027 0.709 6.168 1.00 0.00 C ATOM 603 CG PHE A 37 -6.211 1.918 5.795 1.00 0.00 C ATOM 604 CD1 PHE A 37 -6.419 2.577 4.592 1.00 0.00 C ATOM 605 CD2 PHE A 37 -5.237 2.400 6.656 1.00 0.00 C ATOM 606 CE1 PHE A 37 -5.672 3.691 4.260 1.00 0.00 C ATOM 607 CE2 PHE A 37 -4.488 3.511 6.328 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.705 4.158 5.129 1.00 0.00 C ATOM 0 H PHE A 37 -7.470 1.535 8.746 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.993 1.573 6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.426 0.057 6.802 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.262 0.147 5.264 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.173 2.216 3.908 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.062 1.899 7.597 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.844 4.197 3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.733 3.874 7.009 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.120 5.028 4.870 1.00 0.00 H new ATOM 618 N PRO A 38 -10.361 -0.194 7.484 1.00 0.00 N ATOM 619 CA PRO A 38 -11.157 -1.372 7.838 1.00 0.00 C ATOM 620 C PRO A 38 -11.053 -2.469 6.795 1.00 0.00 C ATOM 621 O PRO A 38 -10.769 -2.213 5.620 1.00 0.00 O ATOM 622 CB PRO A 38 -12.591 -0.845 7.897 1.00 0.00 C ATOM 623 CG PRO A 38 -12.448 0.620 8.070 1.00 0.00 C ATOM 624 CD PRO A 38 -11.207 0.993 7.306 1.00 0.00 C ATOM 0 HA PRO A 38 -10.815 -1.818 8.772 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.138 -1.084 6.985 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.142 -1.289 8.726 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.320 1.148 7.685 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.355 0.884 9.123 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.420 1.187 6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.737 1.891 7.707 1.00 0.00 H new ATOM 632 N GLU A 39 -11.283 -3.686 7.238 1.00 0.00 N ATOM 633 CA GLU A 39 -11.231 -4.839 6.368 1.00 0.00 C ATOM 634 C GLU A 39 -12.516 -4.935 5.555 1.00 0.00 C ATOM 635 O GLU A 39 -13.443 -5.674 5.894 1.00 0.00 O ATOM 636 CB GLU A 39 -10.994 -6.095 7.200 1.00 0.00 C ATOM 637 CG GLU A 39 -10.753 -7.348 6.382 1.00 0.00 C ATOM 638 CD GLU A 39 -10.166 -8.457 7.217 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.925 -8.534 7.315 1.00 0.00 O ATOM 640 OE2 GLU A 39 -10.936 -9.246 7.796 1.00 0.00 O ATOM 0 H GLU A 39 -11.511 -3.903 8.208 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.403 -4.737 5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.135 -5.929 7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.857 -6.257 7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.693 -7.682 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.079 -7.119 5.556 1.00 0.00 H new ATOM 647 N ASP A 40 -12.557 -4.160 4.484 1.00 0.00 N ATOM 648 CA ASP A 40 -13.729 -4.078 3.620 1.00 0.00 C ATOM 649 C ASP A 40 -13.279 -3.873 2.186 1.00 0.00 C ATOM 650 O ASP A 40 -12.298 -3.175 1.925 1.00 0.00 O ATOM 651 CB ASP A 40 -14.651 -2.922 4.041 1.00 0.00 C ATOM 652 CG ASP A 40 -15.933 -2.884 3.229 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.909 -2.408 2.074 1.00 0.00 O ATOM 654 OD2 ASP A 40 -16.973 -3.345 3.739 1.00 0.00 O ATOM 0 H ASP A 40 -11.781 -3.569 4.187 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.290 -5.009 3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.896 -3.022 5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.121 -1.977 3.924 1.00 0.00 H new ATOM 659 N ASP A 41 -14.014 -4.492 1.267 1.00 0.00 N ATOM 660 CA ASP A 41 -13.663 -4.510 -0.153 1.00 0.00 C ATOM 661 C ASP A 41 -13.552 -3.099 -0.724 1.00 0.00 C ATOM 662 O ASP A 41 -12.774 -2.860 -1.647 1.00 0.00 O ATOM 663 CB ASP A 41 -14.696 -5.307 -0.952 1.00 0.00 C ATOM 664 CG ASP A 41 -14.979 -6.662 -0.337 1.00 0.00 C ATOM 665 OD1 ASP A 41 -15.922 -6.756 0.478 1.00 0.00 O ATOM 666 OD2 ASP A 41 -14.258 -7.636 -0.655 1.00 0.00 O ATOM 0 H ASP A 41 -14.873 -4.997 1.485 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.689 -4.991 -0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.623 -4.737 -1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.337 -5.442 -1.972 1.00 0.00 H new ATOM 671 N THR A 42 -14.330 -2.173 -0.172 1.00 0.00 N ATOM 672 CA THR A 42 -14.280 -0.775 -0.579 1.00 0.00 C ATOM 673 C THR A 42 -12.886 -0.200 -0.335 1.00 0.00 C ATOM 674 O THR A 42 -12.232 0.302 -1.254 1.00 0.00 O ATOM 675 CB THR A 42 -15.312 0.047 0.209 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.574 -0.632 0.206 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.469 1.435 -0.387 1.00 0.00 C ATOM 0 H THR A 42 -15.008 -2.369 0.565 1.00 0.00 H new ATOM 0 HA THR A 42 -14.511 -0.721 -1.643 1.00 0.00 H new ATOM 0 HB THR A 42 -14.959 0.154 1.235 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.617 -1.246 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.205 1.997 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.511 1.954 -0.357 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.804 1.351 -1.421 1.00 0.00 H new ATOM 685 N THR A 43 -12.440 -0.296 0.914 1.00 0.00 N ATOM 686 CA THR A 43 -11.103 0.122 1.308 1.00 0.00 C ATOM 687 C THR A 43 -10.039 -0.591 0.478 1.00 0.00 C ATOM 688 O THR A 43 -9.025 -0.003 0.104 1.00 0.00 O ATOM 689 CB THR A 43 -10.865 -0.190 2.799 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.935 0.352 3.587 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.537 0.384 3.277 1.00 0.00 C ATOM 0 H THR A 43 -12.999 -0.667 1.682 1.00 0.00 H new ATOM 0 HA THR A 43 -11.027 1.196 1.137 1.00 0.00 H new ATOM 0 HB THR A 43 -10.833 -1.273 2.917 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.997 1.318 3.434 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.397 0.148 4.332 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.723 -0.051 2.697 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.540 1.466 3.145 1.00 0.00 H new ATOM 699 N MET A 44 -10.296 -1.855 0.170 1.00 0.00 N ATOM 700 CA MET A 44 -9.337 -2.682 -0.543 1.00 0.00 C ATOM 701 C MET A 44 -9.137 -2.195 -1.973 1.00 0.00 C ATOM 702 O MET A 44 -8.004 -2.054 -2.434 1.00 0.00 O ATOM 703 CB MET A 44 -9.792 -4.140 -0.543 1.00 0.00 C ATOM 704 CG MET A 44 -9.940 -4.722 0.852 1.00 0.00 C ATOM 705 SD MET A 44 -10.538 -6.419 0.846 1.00 0.00 S ATOM 706 CE MET A 44 -10.577 -6.751 2.605 1.00 0.00 C ATOM 0 H MET A 44 -11.167 -2.331 0.405 1.00 0.00 H new ATOM 0 HA MET A 44 -8.381 -2.606 -0.025 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.746 -4.216 -1.064 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.074 -4.738 -1.104 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.976 -4.684 1.360 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.628 -4.102 1.427 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.238 -7.595 2.801 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.572 -6.989 2.953 1.00 0.00 H new ATOM 0 HE3 MET A 44 -10.945 -5.871 3.133 1.00 0.00 H new ATOM 716 N CYS A 45 -10.234 -1.933 -2.677 1.00 0.00 N ATOM 717 CA CYS A 45 -10.149 -1.425 -4.042 1.00 0.00 C ATOM 718 C CYS A 45 -9.557 -0.025 -4.053 1.00 0.00 C ATOM 719 O CYS A 45 -8.857 0.353 -4.994 1.00 0.00 O ATOM 720 CB CYS A 45 -11.519 -1.435 -4.730 1.00 0.00 C ATOM 721 SG CYS A 45 -12.182 -3.108 -5.027 1.00 0.00 S ATOM 0 H CYS A 45 -11.184 -2.063 -2.329 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.491 -2.088 -4.603 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.227 -0.877 -4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.441 -0.911 -5.683 1.00 0.00 H new ATOM 726 N TYR A 46 -9.822 0.736 -2.995 1.00 0.00 N ATOM 727 CA TYR A 46 -9.244 2.059 -2.843 1.00 0.00 C ATOM 728 C TYR A 46 -7.722 1.967 -2.793 1.00 0.00 C ATOM 729 O TYR A 46 -7.025 2.663 -3.530 1.00 0.00 O ATOM 730 CB TYR A 46 -9.796 2.727 -1.579 1.00 0.00 C ATOM 731 CG TYR A 46 -8.999 3.933 -1.129 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.038 5.125 -1.842 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.208 3.877 0.013 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.311 6.226 -1.430 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.479 4.973 0.431 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.533 6.144 -0.293 1.00 0.00 C ATOM 737 OH TYR A 46 -6.811 7.239 0.120 1.00 0.00 O ATOM 0 H TYR A 46 -10.436 0.454 -2.231 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.517 2.671 -3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.827 3.031 -1.760 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.817 1.995 -0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.646 5.192 -2.732 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.163 2.961 0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.352 7.146 -1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.870 4.912 1.321 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.911 7.202 -0.266 1.00 0.00 H new ATOM 747 N ILE A 47 -7.222 1.080 -1.936 1.00 0.00 N ATOM 748 CA ILE A 47 -5.788 0.852 -1.806 1.00 0.00 C ATOM 749 C ILE A 47 -5.193 0.383 -3.132 1.00 0.00 C ATOM 750 O ILE A 47 -4.113 0.816 -3.524 1.00 0.00 O ATOM 751 CB ILE A 47 -5.480 -0.190 -0.703 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.885 0.351 0.679 1.00 0.00 C ATOM 753 CG2 ILE A 47 -4.006 -0.586 -0.721 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.190 1.642 1.070 1.00 0.00 C ATOM 0 H ILE A 47 -7.794 0.505 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.333 1.801 -1.524 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.069 -1.085 -0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.963 0.514 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.668 -0.407 1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.817 -1.319 0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.757 -1.019 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.390 0.297 -0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.532 1.955 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.112 1.482 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.427 2.418 0.342 1.00 0.00 H new ATOM 766 N LYS A 48 -5.924 -0.483 -3.823 1.00 0.00 N ATOM 767 CA LYS A 48 -5.479 -1.032 -5.095 1.00 0.00 C ATOM 768 C LYS A 48 -5.265 0.083 -6.111 1.00 0.00 C ATOM 769 O LYS A 48 -4.200 0.182 -6.719 1.00 0.00 O ATOM 770 CB LYS A 48 -6.511 -2.045 -5.609 1.00 0.00 C ATOM 771 CG LYS A 48 -6.122 -2.750 -6.904 1.00 0.00 C ATOM 772 CD LYS A 48 -6.671 -2.023 -8.122 1.00 0.00 C ATOM 773 CE LYS A 48 -6.426 -2.805 -9.403 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.108 -2.183 -10.569 1.00 0.00 N ATOM 0 H LYS A 48 -6.837 -0.822 -3.519 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.527 -1.542 -4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.677 -2.797 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.460 -1.531 -5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.036 -2.811 -6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.498 -3.773 -6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.741 -1.858 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.204 -1.041 -8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.355 -2.860 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.781 -3.828 -9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.917 -2.745 -11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.133 -2.153 -10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.751 -1.215 -10.704 1.00 0.00 H new ATOM 788 N CYS A 49 -6.284 0.914 -6.283 1.00 0.00 N ATOM 789 CA CYS A 49 -6.208 2.037 -7.208 1.00 0.00 C ATOM 790 C CYS A 49 -5.063 2.987 -6.851 1.00 0.00 C ATOM 791 O CYS A 49 -4.270 3.359 -7.715 1.00 0.00 O ATOM 792 CB CYS A 49 -7.537 2.793 -7.235 1.00 0.00 C ATOM 793 SG CYS A 49 -7.465 4.392 -8.110 1.00 0.00 S ATOM 0 H CYS A 49 -7.175 0.831 -5.793 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.006 1.635 -8.201 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.291 2.165 -7.710 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.865 2.966 -6.210 1.00 0.00 H new ATOM 798 N VAL A 50 -4.971 3.361 -5.574 1.00 0.00 N ATOM 799 CA VAL A 50 -3.959 4.299 -5.115 1.00 0.00 C ATOM 800 C VAL A 50 -2.552 3.750 -5.331 1.00 0.00 C ATOM 801 O VAL A 50 -1.687 4.429 -5.886 1.00 0.00 O ATOM 802 CB VAL A 50 -4.168 4.648 -3.627 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.985 5.408 -3.062 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.430 5.469 -3.462 1.00 0.00 C ATOM 0 H VAL A 50 -5.592 3.023 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.065 5.208 -5.707 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.263 3.713 -3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.167 5.637 -2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.086 4.799 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.850 6.336 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.571 5.712 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.343 6.390 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.286 4.897 -3.820 1.00 0.00 H new ATOM 814 N PHE A 51 -2.344 2.504 -4.925 1.00 0.00 N ATOM 815 CA PHE A 51 -1.049 1.851 -5.066 1.00 0.00 C ATOM 816 C PHE A 51 -0.673 1.713 -6.538 1.00 0.00 C ATOM 817 O PHE A 51 0.504 1.714 -6.903 1.00 0.00 O ATOM 818 CB PHE A 51 -1.082 0.480 -4.384 1.00 0.00 C ATOM 819 CG PHE A 51 -0.725 0.511 -2.925 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.077 -0.562 -2.338 1.00 0.00 C ATOM 821 CD2 PHE A 51 -1.041 1.609 -2.140 1.00 0.00 C ATOM 822 CE1 PHE A 51 0.247 -0.542 -0.995 1.00 0.00 C ATOM 823 CE2 PHE A 51 -0.719 1.635 -0.798 1.00 0.00 C ATOM 824 CZ PHE A 51 -0.074 0.558 -0.225 1.00 0.00 C ATOM 0 H PHE A 51 -3.061 1.922 -4.492 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.290 2.466 -4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.080 0.056 -4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.393 -0.188 -4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.178 -1.424 -2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.545 2.455 -2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.751 -1.386 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.971 2.497 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.179 0.576 0.825 1.00 0.00 H new ATOM 834 N ASN A 52 -1.692 1.611 -7.378 1.00 0.00 N ATOM 835 CA ASN A 52 -1.508 1.523 -8.820 1.00 0.00 C ATOM 836 C ASN A 52 -1.103 2.875 -9.389 1.00 0.00 C ATOM 837 O ASN A 52 -0.199 2.969 -10.217 1.00 0.00 O ATOM 838 CB ASN A 52 -2.801 1.040 -9.487 1.00 0.00 C ATOM 839 CG ASN A 52 -2.765 1.158 -10.998 1.00 0.00 C ATOM 840 OD1 ASN A 52 -3.220 2.153 -11.567 1.00 0.00 O ATOM 841 ND2 ASN A 52 -2.215 0.153 -11.654 1.00 0.00 N ATOM 0 H ASN A 52 -2.668 1.587 -7.081 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.713 0.806 -9.025 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.979 0.000 -9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.641 1.619 -9.102 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.154 0.181 -12.672 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.851 -0.651 -11.143 1.00 0.00 H new ATOM 848 N LYS A 53 -1.764 3.920 -8.912 1.00 0.00 N ATOM 849 CA LYS A 53 -1.543 5.271 -9.407 1.00 0.00 C ATOM 850 C LYS A 53 -0.197 5.816 -8.943 1.00 0.00 C ATOM 851 O LYS A 53 0.371 6.712 -9.565 1.00 0.00 O ATOM 852 CB LYS A 53 -2.676 6.187 -8.936 1.00 0.00 C ATOM 853 CG LYS A 53 -3.991 6.010 -9.690 1.00 0.00 C ATOM 854 CD LYS A 53 -4.061 6.849 -10.963 1.00 0.00 C ATOM 855 CE LYS A 53 -3.191 6.301 -12.090 1.00 0.00 C ATOM 856 NZ LYS A 53 -3.566 4.913 -12.472 1.00 0.00 N ATOM 0 H LYS A 53 -2.466 3.856 -8.174 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.533 5.239 -10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.853 6.008 -7.876 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.353 7.223 -9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.119 4.958 -9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.819 6.282 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.096 6.898 -11.302 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.751 7.869 -10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.278 6.951 -12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.146 6.320 -11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.192 4.700 -13.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.167 4.244 -11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.602 4.823 -12.481 1.00 0.00 H new ATOM 870 N MET A 54 0.304 5.265 -7.848 1.00 0.00 N ATOM 871 CA MET A 54 1.587 5.677 -7.294 1.00 0.00 C ATOM 872 C MET A 54 2.735 4.871 -7.895 1.00 0.00 C ATOM 873 O MET A 54 3.888 5.014 -7.484 1.00 0.00 O ATOM 874 CB MET A 54 1.573 5.520 -5.775 1.00 0.00 C ATOM 875 CG MET A 54 0.672 6.524 -5.085 1.00 0.00 C ATOM 876 SD MET A 54 0.359 6.130 -3.356 1.00 0.00 S ATOM 877 CE MET A 54 1.909 6.604 -2.603 1.00 0.00 C ATOM 0 H MET A 54 -0.162 4.526 -7.321 1.00 0.00 H new ATOM 0 HA MET A 54 1.745 6.725 -7.547 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.245 4.512 -5.522 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.589 5.630 -5.394 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.126 7.513 -5.149 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.278 6.575 -5.617 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.834 6.501 -1.520 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.706 5.960 -2.975 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.133 7.641 -2.854 1.00 0.00 H new ATOM 887 N GLN A 55 2.400 4.027 -8.876 1.00 0.00 N ATOM 888 CA GLN A 55 3.370 3.156 -9.540 1.00 0.00 C ATOM 889 C GLN A 55 4.079 2.248 -8.541 1.00 0.00 C ATOM 890 O GLN A 55 5.283 2.016 -8.637 1.00 0.00 O ATOM 891 CB GLN A 55 4.399 3.977 -10.325 1.00 0.00 C ATOM 892 CG GLN A 55 4.006 4.272 -11.766 1.00 0.00 C ATOM 893 CD GLN A 55 2.737 5.093 -11.881 1.00 0.00 C ATOM 894 OE1 GLN A 55 2.774 6.325 -11.865 1.00 0.00 O ATOM 895 NE2 GLN A 55 1.606 4.421 -12.021 1.00 0.00 N ATOM 0 H GLN A 55 1.449 3.930 -9.231 1.00 0.00 H new ATOM 0 HA GLN A 55 2.816 2.529 -10.239 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.563 4.921 -9.806 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.349 3.443 -10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.821 4.804 -12.257 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.872 3.331 -12.300 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.616 3.401 -12.029 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.724 4.923 -12.121 1.00 0.00 H new ATOM 904 N LEU A 56 3.321 1.722 -7.593 1.00 0.00 N ATOM 905 CA LEU A 56 3.896 0.934 -6.516 1.00 0.00 C ATOM 906 C LEU A 56 3.345 -0.490 -6.521 1.00 0.00 C ATOM 907 O LEU A 56 3.924 -1.398 -5.924 1.00 0.00 O ATOM 908 CB LEU A 56 3.629 1.633 -5.175 1.00 0.00 C ATOM 909 CG LEU A 56 4.790 2.490 -4.659 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.399 3.217 -3.380 1.00 0.00 C ATOM 911 CD2 LEU A 56 6.024 1.638 -4.422 1.00 0.00 C ATOM 0 H LEU A 56 2.307 1.826 -7.547 1.00 0.00 H new ATOM 0 HA LEU A 56 4.973 0.859 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.747 2.265 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.393 0.876 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 56 5.023 3.233 -5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.239 3.819 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.545 3.865 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.133 2.488 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.836 2.267 -4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.799 0.869 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.325 1.165 -5.357 1.00 0.00 H new ATOM 923 N PHE A 57 2.233 -0.681 -7.217 1.00 0.00 N ATOM 924 CA PHE A 57 1.607 -1.990 -7.323 1.00 0.00 C ATOM 925 C PHE A 57 1.101 -2.210 -8.740 1.00 0.00 C ATOM 926 O PHE A 57 0.542 -1.304 -9.360 1.00 0.00 O ATOM 927 CB PHE A 57 0.451 -2.126 -6.318 1.00 0.00 C ATOM 928 CG PHE A 57 -0.347 -3.396 -6.459 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.553 -3.398 -7.144 1.00 0.00 C ATOM 930 CD2 PHE A 57 0.108 -4.584 -5.910 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.288 -4.560 -7.278 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.625 -5.748 -6.041 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.823 -5.735 -6.726 1.00 0.00 C ATOM 0 H PHE A 57 1.744 0.060 -7.719 1.00 0.00 H new ATOM 0 HA PHE A 57 2.353 -2.750 -7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.856 -2.076 -5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.219 -1.275 -6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.922 -2.480 -7.578 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.045 -4.600 -5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.225 -4.548 -7.814 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.261 -6.668 -5.607 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.396 -6.645 -6.830 1.00 0.00 H new ATOM 943 N ASP A 58 1.320 -3.408 -9.246 1.00 0.00 N ATOM 944 CA ASP A 58 0.844 -3.795 -10.564 1.00 0.00 C ATOM 945 C ASP A 58 -0.056 -5.015 -10.423 1.00 0.00 C ATOM 946 O ASP A 58 0.200 -5.882 -9.595 1.00 0.00 O ATOM 947 CB ASP A 58 2.036 -4.092 -11.485 1.00 0.00 C ATOM 948 CG ASP A 58 1.616 -4.540 -12.869 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.575 -5.757 -13.119 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.335 -3.669 -13.718 1.00 0.00 O ATOM 0 H ASP A 58 1.833 -4.142 -8.757 1.00 0.00 H new ATOM 0 HA ASP A 58 0.272 -2.982 -11.010 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.654 -3.198 -11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.655 -4.866 -11.031 1.00 0.00 H new ATOM 955 N ASP A 59 -1.117 -5.077 -11.215 1.00 0.00 N ATOM 956 CA ASP A 59 -2.123 -6.128 -11.059 1.00 0.00 C ATOM 957 C ASP A 59 -1.640 -7.445 -11.653 1.00 0.00 C ATOM 958 O ASP A 59 -2.241 -8.496 -11.428 1.00 0.00 O ATOM 959 CB ASP A 59 -3.442 -5.712 -11.713 1.00 0.00 C ATOM 960 CG ASP A 59 -3.359 -5.661 -13.225 1.00 0.00 C ATOM 961 OD1 ASP A 59 -2.734 -4.719 -13.759 1.00 0.00 O ATOM 962 OD2 ASP A 59 -3.928 -6.556 -13.885 1.00 0.00 O ATOM 0 H ASP A 59 -1.307 -4.417 -11.970 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.288 -6.273 -9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.224 -6.413 -11.420 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.735 -4.732 -11.337 1.00 0.00 H new ATOM 967 N THR A 60 -0.561 -7.380 -12.413 1.00 0.00 N ATOM 968 CA THR A 60 0.037 -8.563 -12.996 1.00 0.00 C ATOM 969 C THR A 60 1.229 -9.043 -12.163 1.00 0.00 C ATOM 970 O THR A 60 1.213 -10.151 -11.621 1.00 0.00 O ATOM 971 CB THR A 60 0.481 -8.278 -14.444 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.673 -8.134 -15.285 1.00 0.00 O ATOM 973 CG2 THR A 60 1.385 -9.375 -14.981 1.00 0.00 C ATOM 0 H THR A 60 -0.079 -6.511 -12.641 1.00 0.00 H new ATOM 0 HA THR A 60 -0.713 -9.354 -13.004 1.00 0.00 H new ATOM 0 HB THR A 60 1.053 -7.350 -14.444 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.387 -7.951 -16.204 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.677 -9.138 -16.004 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.276 -9.450 -14.358 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.852 -10.325 -14.967 1.00 0.00 H new ATOM 981 N GLU A 61 2.253 -8.201 -12.056 1.00 0.00 N ATOM 982 CA GLU A 61 3.469 -8.550 -11.329 1.00 0.00 C ATOM 983 C GLU A 61 3.237 -8.557 -9.822 1.00 0.00 C ATOM 984 O GLU A 61 3.920 -9.267 -9.080 1.00 0.00 O ATOM 985 CB GLU A 61 4.578 -7.557 -11.650 1.00 0.00 C ATOM 986 CG GLU A 61 4.651 -7.177 -13.113 1.00 0.00 C ATOM 987 CD GLU A 61 5.780 -6.213 -13.404 1.00 0.00 C ATOM 988 OE1 GLU A 61 6.957 -6.614 -13.276 1.00 0.00 O ATOM 989 OE2 GLU A 61 5.501 -5.051 -13.775 1.00 0.00 O ATOM 0 H GLU A 61 2.264 -7.267 -12.466 1.00 0.00 H new ATOM 0 HA GLU A 61 3.760 -9.552 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.429 -6.655 -11.057 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.534 -7.983 -11.347 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.782 -8.077 -13.713 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.706 -6.727 -13.416 1.00 0.00 H new ATOM 996 N GLY A 62 2.273 -7.769 -9.375 1.00 0.00 N ATOM 997 CA GLY A 62 2.038 -7.610 -7.957 1.00 0.00 C ATOM 998 C GLY A 62 2.769 -6.409 -7.396 1.00 0.00 C ATOM 999 O GLY A 62 3.013 -5.439 -8.116 1.00 0.00 O ATOM 0 H GLY A 62 1.645 -7.233 -9.974 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.969 -7.502 -7.776 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.361 -8.509 -7.432 1.00 0.00 H new ATOM 1003 N PRO A 63 3.113 -6.444 -6.104 1.00 0.00 N ATOM 1004 CA PRO A 63 3.893 -5.387 -5.459 1.00 0.00 C ATOM 1005 C PRO A 63 5.228 -5.166 -6.161 1.00 0.00 C ATOM 1006 O PRO A 63 6.016 -6.100 -6.338 1.00 0.00 O ATOM 1007 CB PRO A 63 4.114 -5.911 -4.034 1.00 0.00 C ATOM 1008 CG PRO A 63 3.050 -6.932 -3.820 1.00 0.00 C ATOM 1009 CD PRO A 63 2.758 -7.523 -5.172 1.00 0.00 C ATOM 0 HA PRO A 63 3.383 -4.424 -5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.106 -6.349 -3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.039 -5.106 -3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.383 -7.701 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.156 -6.479 -3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.349 -8.420 -5.354 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.710 -7.807 -5.268 1.00 0.00 H new ATOM 1017 N LEU A 64 5.475 -3.933 -6.573 1.00 0.00 N ATOM 1018 CA LEU A 64 6.712 -3.596 -7.257 1.00 0.00 C ATOM 1019 C LEU A 64 7.807 -3.349 -6.238 1.00 0.00 C ATOM 1020 O LEU A 64 8.054 -2.213 -5.837 1.00 0.00 O ATOM 1021 CB LEU A 64 6.523 -2.371 -8.153 1.00 0.00 C ATOM 1022 CG LEU A 64 5.347 -2.481 -9.126 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.151 -1.182 -9.889 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.573 -3.634 -10.087 1.00 0.00 C ATOM 0 H LEU A 64 4.835 -3.149 -6.445 1.00 0.00 H new ATOM 0 HA LEU A 64 7.001 -4.432 -7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.378 -1.493 -7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.438 -2.207 -8.723 1.00 0.00 H new ATOM 0 HG LEU A 64 4.441 -2.673 -8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.309 -1.286 -10.574 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.949 -0.374 -9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.054 -0.953 -10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.731 -3.704 -10.775 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.490 -3.463 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.661 -4.564 -9.525 1.00 0.00 H new ATOM 1036 N VAL A 65 8.445 -4.440 -5.830 1.00 0.00 N ATOM 1037 CA VAL A 65 9.450 -4.434 -4.775 1.00 0.00 C ATOM 1038 C VAL A 65 10.504 -3.350 -4.985 1.00 0.00 C ATOM 1039 O VAL A 65 10.880 -2.659 -4.043 1.00 0.00 O ATOM 1040 CB VAL A 65 10.143 -5.803 -4.670 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.270 -5.769 -3.646 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.131 -6.875 -4.313 1.00 0.00 C ATOM 0 H VAL A 65 8.277 -5.364 -6.228 1.00 0.00 H new ATOM 0 HA VAL A 65 8.922 -4.218 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 65 10.580 -6.041 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.742 -6.750 -3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.010 -5.026 -3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.865 -5.507 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.633 -7.840 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.669 -6.635 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.363 -6.922 -5.085 1.00 0.00 H new ATOM 1052 N ASP A 66 10.963 -3.197 -6.219 1.00 0.00 N ATOM 1053 CA ASP A 66 12.006 -2.225 -6.530 1.00 0.00 C ATOM 1054 C ASP A 66 11.573 -0.806 -6.155 1.00 0.00 C ATOM 1055 O ASP A 66 12.261 -0.121 -5.395 1.00 0.00 O ATOM 1056 CB ASP A 66 12.365 -2.304 -8.008 1.00 0.00 C ATOM 1057 CG ASP A 66 13.513 -1.391 -8.383 1.00 0.00 C ATOM 1058 OD1 ASP A 66 13.257 -0.240 -8.789 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.677 -1.822 -8.276 1.00 0.00 O ATOM 0 H ASP A 66 10.631 -3.732 -7.022 1.00 0.00 H new ATOM 0 HA ASP A 66 12.888 -2.467 -5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.627 -3.332 -8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.490 -2.044 -8.604 1.00 0.00 H new ATOM 1064 N ASN A 67 10.421 -0.374 -6.668 1.00 0.00 N ATOM 1065 CA ASN A 67 9.888 0.945 -6.336 1.00 0.00 C ATOM 1066 C ASN A 67 9.547 1.022 -4.857 1.00 0.00 C ATOM 1067 O ASN A 67 9.697 2.067 -4.225 1.00 0.00 O ATOM 1068 CB ASN A 67 8.643 1.270 -7.162 1.00 0.00 C ATOM 1069 CG ASN A 67 8.944 1.504 -8.631 1.00 0.00 C ATOM 1070 OD1 ASN A 67 10.054 1.890 -9.000 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.944 1.319 -9.477 1.00 0.00 N ATOM 0 H ASN A 67 9.843 -0.915 -7.311 1.00 0.00 H new ATOM 0 HA ASN A 67 10.660 1.678 -6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.930 0.451 -7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.163 2.158 -6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.078 1.497 -10.472 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.039 0.998 -9.134 1.00 0.00 H new ATOM 1078 N LEU A 68 9.096 -0.102 -4.315 1.00 0.00 N ATOM 1079 CA LEU A 68 8.713 -0.197 -2.912 1.00 0.00 C ATOM 1080 C LEU A 68 9.884 0.118 -1.993 1.00 0.00 C ATOM 1081 O LEU A 68 9.739 0.867 -1.035 1.00 0.00 O ATOM 1082 CB LEU A 68 8.149 -1.585 -2.611 1.00 0.00 C ATOM 1083 CG LEU A 68 6.670 -1.757 -2.953 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.295 -3.227 -2.984 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.811 -1.017 -1.944 1.00 0.00 C ATOM 0 H LEU A 68 8.985 -0.973 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 68 7.938 0.546 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.725 -2.325 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.291 -1.799 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 68 6.493 -1.337 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.238 -3.328 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.893 -3.739 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.485 -3.672 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.759 -1.146 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.996 -1.416 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.061 0.044 -1.962 1.00 0.00 H new ATOM 1097 N VAL A 69 11.045 -0.446 -2.293 1.00 0.00 N ATOM 1098 CA VAL A 69 12.241 -0.175 -1.515 1.00 0.00 C ATOM 1099 C VAL A 69 12.699 1.261 -1.720 1.00 0.00 C ATOM 1100 O VAL A 69 13.052 1.945 -0.770 1.00 0.00 O ATOM 1101 CB VAL A 69 13.380 -1.133 -1.885 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.620 -0.831 -1.066 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.949 -2.570 -1.679 1.00 0.00 C ATOM 0 H VAL A 69 11.182 -1.093 -3.069 1.00 0.00 H new ATOM 0 HA VAL A 69 11.988 -0.328 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 69 13.621 -0.989 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.416 -1.522 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.943 0.192 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.393 -0.946 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.768 -3.237 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.682 -2.723 -0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.086 -2.785 -2.309 1.00 0.00 H new ATOM 1113 N HIS A 70 12.657 1.728 -2.960 1.00 0.00 N ATOM 1114 CA HIS A 70 13.076 3.094 -3.266 1.00 0.00 C ATOM 1115 C HIS A 70 12.218 4.116 -2.525 1.00 0.00 C ATOM 1116 O HIS A 70 12.679 5.214 -2.215 1.00 0.00 O ATOM 1117 CB HIS A 70 13.029 3.364 -4.771 1.00 0.00 C ATOM 1118 CG HIS A 70 14.248 2.887 -5.500 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.701 1.638 -5.755 1.00 0.00 N flip ATOM 1120 CD2 HIS A 70 15.165 3.746 -6.070 1.00 0.00 C flip ATOM 1121 CE1 HIS A 70 15.867 1.766 -6.463 1.00 0.00 C flip ATOM 1122 NE2 HIS A 70 16.125 3.045 -6.640 1.00 0.00 N flip ATOM 0 H HIS A 70 12.340 1.189 -3.766 1.00 0.00 H new ATOM 0 HA HIS A 70 14.107 3.198 -2.927 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.149 2.878 -5.192 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.911 4.435 -4.937 1.00 0.00 H new ATOM 0 HD1 HIS A 70 14.257 0.764 -5.473 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.106 4.824 -6.052 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.477 0.949 -6.819 1.00 0.00 H new ATOM 1131 N GLN A 71 10.977 3.751 -2.241 1.00 0.00 N ATOM 1132 CA GLN A 71 10.071 4.633 -1.519 1.00 0.00 C ATOM 1133 C GLN A 71 10.164 4.414 -0.011 1.00 0.00 C ATOM 1134 O GLN A 71 10.473 5.337 0.739 1.00 0.00 O ATOM 1135 CB GLN A 71 8.626 4.427 -1.985 1.00 0.00 C ATOM 1136 CG GLN A 71 7.657 5.469 -1.438 1.00 0.00 C ATOM 1137 CD GLN A 71 7.999 6.894 -1.842 1.00 0.00 C ATOM 1138 OE1 GLN A 71 9.158 7.234 -2.070 1.00 0.00 O ATOM 1139 NE2 GLN A 71 6.989 7.743 -1.923 1.00 0.00 N ATOM 0 H GLN A 71 10.574 2.850 -2.499 1.00 0.00 H new ATOM 0 HA GLN A 71 10.372 5.658 -1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.597 4.452 -3.074 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.292 3.436 -1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.651 5.234 -1.785 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.642 5.403 -0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.039 7.426 -1.727 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.159 8.715 -2.182 1.00 0.00 H new ATOM 1148 N LEU A 72 9.901 3.188 0.424 1.00 0.00 N ATOM 1149 CA LEU A 72 9.833 2.873 1.850 1.00 0.00 C ATOM 1150 C LEU A 72 11.179 3.052 2.551 1.00 0.00 C ATOM 1151 O LEU A 72 11.230 3.484 3.699 1.00 0.00 O ATOM 1152 CB LEU A 72 9.310 1.453 2.066 1.00 0.00 C ATOM 1153 CG LEU A 72 7.844 1.235 1.679 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.490 -0.241 1.757 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.918 2.041 2.579 1.00 0.00 C ATOM 0 H LEU A 72 9.730 2.392 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 72 9.137 3.583 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.928 0.763 1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.435 1.192 3.117 1.00 0.00 H new ATOM 0 HG LEU A 72 7.711 1.578 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.445 -0.380 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.125 -0.804 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.645 -0.599 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.883 1.869 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.056 1.731 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.151 3.102 2.484 1.00 0.00 H new ATOM 1167 N ALA A 73 12.268 2.727 1.864 1.00 0.00 N ATOM 1168 CA ALA A 73 13.606 2.899 2.423 1.00 0.00 C ATOM 1169 C ALA A 73 14.060 4.359 2.372 1.00 0.00 C ATOM 1170 O ALA A 73 15.245 4.648 2.181 1.00 0.00 O ATOM 1171 CB ALA A 73 14.597 2.000 1.706 1.00 0.00 C ATOM 0 H ALA A 73 12.252 2.343 0.919 1.00 0.00 H new ATOM 0 HA ALA A 73 13.567 2.610 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.590 2.139 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.294 0.959 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.619 2.255 0.646 1.00 0.00 H new ATOM 1177 N HIS A 74 13.108 5.272 2.533 1.00 0.00 N ATOM 1178 CA HIS A 74 13.386 6.706 2.534 1.00 0.00 C ATOM 1179 C HIS A 74 14.134 7.092 3.809 1.00 0.00 C ATOM 1180 O HIS A 74 13.540 7.594 4.762 1.00 0.00 O ATOM 1181 CB HIS A 74 12.070 7.500 2.425 1.00 0.00 C ATOM 1182 CG HIS A 74 12.243 8.978 2.218 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.932 9.917 3.181 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.668 9.680 1.139 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.154 11.126 2.701 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.602 11.011 1.465 1.00 0.00 N ATOM 0 H HIS A 74 12.124 5.041 2.666 1.00 0.00 H new ATOM 0 HA HIS A 74 14.011 6.947 1.674 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.486 7.097 1.597 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.489 7.340 3.333 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.998 9.268 0.197 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.996 12.054 3.231 1.00 0.00 H new ATOM 0 HE2 HIS A 74 12.857 11.785 0.852 1.00 0.00 H new ATOM 1195 N GLY A 75 15.435 6.840 3.820 1.00 0.00 N ATOM 1196 CA GLY A 75 16.245 7.139 4.983 1.00 0.00 C ATOM 1197 C GLY A 75 16.505 5.910 5.833 1.00 0.00 C ATOM 1198 O GLY A 75 16.715 6.016 7.042 1.00 0.00 O ATOM 0 H GLY A 75 15.947 6.431 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.196 7.564 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.745 7.897 5.586 1.00 0.00 H new ATOM 1202 N ARG A 76 16.493 4.740 5.202 1.00 0.00 N ATOM 1203 CA ARG A 76 16.717 3.484 5.912 1.00 0.00 C ATOM 1204 C ARG A 76 17.460 2.476 5.046 1.00 0.00 C ATOM 1205 O ARG A 76 17.546 2.625 3.825 1.00 0.00 O ATOM 1206 CB ARG A 76 15.397 2.866 6.376 1.00 0.00 C ATOM 1207 CG ARG A 76 15.058 3.144 7.829 1.00 0.00 C ATOM 1208 CD ARG A 76 13.970 2.210 8.322 1.00 0.00 C ATOM 1209 NE ARG A 76 13.644 2.427 9.729 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.033 1.524 10.495 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.696 0.340 9.993 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.765 1.804 11.765 1.00 0.00 N ATOM 0 H ARG A 76 16.331 4.635 4.201 1.00 0.00 H new ATOM 0 HA ARG A 76 17.329 3.722 6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.591 3.244 5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.440 1.787 6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.950 3.025 8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.731 4.178 7.938 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.073 2.351 7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.290 1.178 8.181 1.00 0.00 H new ATOM 0 HE ARG A 76 13.899 3.321 10.149 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.905 0.121 9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.228 -0.349 10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.027 2.710 12.154 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.297 1.113 12.352 1.00 0.00 H new ATOM 1226 N ASP A 77 17.998 1.457 5.709 1.00 0.00 N ATOM 1227 CA ASP A 77 18.696 0.359 5.055 1.00 0.00 C ATOM 1228 C ASP A 77 17.772 -0.368 4.091 1.00 0.00 C ATOM 1229 O ASP A 77 16.832 -1.052 4.502 1.00 0.00 O ATOM 1230 CB ASP A 77 19.225 -0.617 6.107 1.00 0.00 C ATOM 1231 CG ASP A 77 20.173 0.044 7.088 1.00 0.00 C ATOM 1232 OD1 ASP A 77 19.709 0.862 7.915 1.00 0.00 O ATOM 1233 OD2 ASP A 77 21.387 -0.254 7.045 1.00 0.00 O ATOM 0 H ASP A 77 17.961 1.371 6.725 1.00 0.00 H new ATOM 0 HA ASP A 77 19.532 0.768 4.488 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.386 -1.048 6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.738 -1.440 5.609 1.00 0.00 H new ATOM 1238 N ALA A 78 18.063 -0.211 2.808 1.00 0.00 N ATOM 1239 CA ALA A 78 17.245 -0.767 1.737 1.00 0.00 C ATOM 1240 C ALA A 78 17.120 -2.282 1.838 1.00 0.00 C ATOM 1241 O ALA A 78 16.066 -2.842 1.546 1.00 0.00 O ATOM 1242 CB ALA A 78 17.837 -0.386 0.396 1.00 0.00 C ATOM 0 H ALA A 78 18.877 0.308 2.478 1.00 0.00 H new ATOM 0 HA ALA A 78 16.242 -0.350 1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.224 -0.802 -0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.863 0.700 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.850 -0.781 0.320 1.00 0.00 H new ATOM 1248 N GLU A 79 18.196 -2.939 2.254 1.00 0.00 N ATOM 1249 CA GLU A 79 18.209 -4.397 2.373 1.00 0.00 C ATOM 1250 C GLU A 79 17.152 -4.883 3.361 1.00 0.00 C ATOM 1251 O GLU A 79 16.411 -5.826 3.075 1.00 0.00 O ATOM 1252 CB GLU A 79 19.592 -4.883 2.792 1.00 0.00 C ATOM 1253 CG GLU A 79 20.630 -4.752 1.694 1.00 0.00 C ATOM 1254 CD GLU A 79 22.014 -5.147 2.158 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.688 -4.311 2.791 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.433 -6.295 1.892 1.00 0.00 O ATOM 0 H GLU A 79 19.073 -2.488 2.515 1.00 0.00 H new ATOM 0 HA GLU A 79 17.970 -4.815 1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.921 -4.316 3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.526 -5.927 3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.341 -5.377 0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.650 -3.722 1.337 1.00 0.00 H new ATOM 1263 N GLU A 80 17.080 -4.230 4.516 1.00 0.00 N ATOM 1264 CA GLU A 80 16.063 -4.547 5.510 1.00 0.00 C ATOM 1265 C GLU A 80 14.672 -4.313 4.938 1.00 0.00 C ATOM 1266 O GLU A 80 13.783 -5.156 5.063 1.00 0.00 O ATOM 1267 CB GLU A 80 16.254 -3.689 6.757 1.00 0.00 C ATOM 1268 CG GLU A 80 17.406 -4.139 7.635 1.00 0.00 C ATOM 1269 CD GLU A 80 17.165 -5.506 8.236 1.00 0.00 C ATOM 1270 OE1 GLU A 80 16.312 -5.615 9.144 1.00 0.00 O ATOM 1271 OE2 GLU A 80 17.819 -6.478 7.808 1.00 0.00 O ATOM 0 H GLU A 80 17.714 -3.478 4.786 1.00 0.00 H new ATOM 0 HA GLU A 80 16.165 -5.598 5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.422 -2.655 6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.335 -3.705 7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.323 -4.159 7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.556 -3.414 8.435 1.00 0.00 H new ATOM 1278 N VAL A 81 14.510 -3.163 4.298 1.00 0.00 N ATOM 1279 CA VAL A 81 13.242 -2.775 3.694 1.00 0.00 C ATOM 1280 C VAL A 81 12.787 -3.782 2.639 1.00 0.00 C ATOM 1281 O VAL A 81 11.649 -4.243 2.671 1.00 0.00 O ATOM 1282 CB VAL A 81 13.350 -1.374 3.073 1.00 0.00 C ATOM 1283 CG1 VAL A 81 12.061 -0.974 2.379 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.707 -0.375 4.150 1.00 0.00 C ATOM 0 H VAL A 81 15.253 -2.473 4.183 1.00 0.00 H new ATOM 0 HA VAL A 81 12.494 -2.759 4.486 1.00 0.00 H new ATOM 0 HB VAL A 81 14.134 -1.388 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.172 0.022 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.839 -1.687 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.245 -0.969 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.784 0.620 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.933 -0.375 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.662 -0.649 4.599 1.00 0.00 H new ATOM 1294 N ARG A 82 13.685 -4.126 1.717 1.00 0.00 N ATOM 1295 CA ARG A 82 13.388 -5.092 0.667 1.00 0.00 C ATOM 1296 C ARG A 82 12.939 -6.417 1.267 1.00 0.00 C ATOM 1297 O ARG A 82 11.961 -7.008 0.820 1.00 0.00 O ATOM 1298 CB ARG A 82 14.620 -5.309 -0.207 1.00 0.00 C ATOM 1299 CG ARG A 82 14.316 -6.029 -1.508 1.00 0.00 C ATOM 1300 CD ARG A 82 15.587 -6.326 -2.277 1.00 0.00 C ATOM 1301 NE ARG A 82 15.323 -6.847 -3.620 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.135 -7.686 -4.262 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.247 -8.114 -3.677 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.838 -8.095 -5.489 1.00 0.00 N ATOM 0 H ARG A 82 14.630 -3.745 1.679 1.00 0.00 H new ATOM 0 HA ARG A 82 12.578 -4.696 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.072 -4.343 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.358 -5.883 0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.789 -6.960 -1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.652 -5.418 -2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.182 -5.416 -2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.183 -7.050 -1.721 1.00 0.00 H new ATOM 0 HE ARG A 82 14.468 -6.551 -4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.481 -7.801 -2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.868 -8.756 -4.170 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.986 -7.767 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.462 -8.737 -5.977 1.00 0.00 H new ATOM 1318 N THR A 83 13.647 -6.860 2.298 1.00 0.00 N ATOM 1319 CA THR A 83 13.340 -8.121 2.954 1.00 0.00 C ATOM 1320 C THR A 83 11.951 -8.087 3.597 1.00 0.00 C ATOM 1321 O THR A 83 11.124 -8.968 3.357 1.00 0.00 O ATOM 1322 CB THR A 83 14.412 -8.447 4.012 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.612 -8.890 3.362 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.933 -9.505 4.994 1.00 0.00 C ATOM 0 H THR A 83 14.441 -6.361 2.698 1.00 0.00 H new ATOM 0 HA THR A 83 13.341 -8.905 2.196 1.00 0.00 H new ATOM 0 HB THR A 83 14.612 -7.538 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.161 -8.114 3.124 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.718 -9.706 5.723 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.042 -9.146 5.509 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.696 -10.422 4.454 1.00 0.00 H new ATOM 1332 N GLU A 84 11.698 -7.060 4.403 1.00 0.00 N ATOM 1333 CA GLU A 84 10.409 -6.908 5.071 1.00 0.00 C ATOM 1334 C GLU A 84 9.265 -6.785 4.061 1.00 0.00 C ATOM 1335 O GLU A 84 8.175 -7.313 4.287 1.00 0.00 O ATOM 1336 CB GLU A 84 10.422 -5.700 6.010 1.00 0.00 C ATOM 1337 CG GLU A 84 11.430 -5.828 7.141 1.00 0.00 C ATOM 1338 CD GLU A 84 11.334 -4.707 8.153 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.374 -4.708 8.954 1.00 0.00 O ATOM 1340 OE2 GLU A 84 12.223 -3.829 8.171 1.00 0.00 O ATOM 0 H GLU A 84 12.369 -6.320 4.610 1.00 0.00 H new ATOM 0 HA GLU A 84 10.239 -7.808 5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.646 -4.803 5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.426 -5.567 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.279 -6.781 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.436 -5.846 6.722 1.00 0.00 H new ATOM 1347 N VAL A 85 9.513 -6.088 2.955 1.00 0.00 N ATOM 1348 CA VAL A 85 8.544 -6.009 1.871 1.00 0.00 C ATOM 1349 C VAL A 85 8.267 -7.395 1.292 1.00 0.00 C ATOM 1350 O VAL A 85 7.114 -7.805 1.168 1.00 0.00 O ATOM 1351 CB VAL A 85 9.033 -5.075 0.745 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.217 -5.279 -0.519 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.961 -3.627 1.191 1.00 0.00 C ATOM 0 H VAL A 85 10.376 -5.571 2.788 1.00 0.00 H new ATOM 0 HA VAL A 85 7.624 -5.600 2.290 1.00 0.00 H new ATOM 0 HB VAL A 85 10.071 -5.322 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.580 -4.610 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.315 -6.312 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.169 -5.062 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.309 -2.980 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.930 -3.374 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.591 -3.485 2.069 1.00 0.00 H new ATOM 1363 N LEU A 86 9.334 -8.114 0.953 1.00 0.00 N ATOM 1364 CA LEU A 86 9.224 -9.441 0.356 1.00 0.00 C ATOM 1365 C LEU A 86 8.461 -10.406 1.259 1.00 0.00 C ATOM 1366 O LEU A 86 7.753 -11.287 0.774 1.00 0.00 O ATOM 1367 CB LEU A 86 10.611 -10.005 0.052 1.00 0.00 C ATOM 1368 CG LEU A 86 11.346 -9.315 -1.088 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.814 -9.695 -1.071 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.717 -9.686 -2.419 1.00 0.00 C ATOM 0 H LEU A 86 10.294 -7.795 1.084 1.00 0.00 H new ATOM 0 HA LEU A 86 8.664 -9.334 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.221 -9.936 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.513 -11.064 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 86 11.266 -8.236 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.329 -9.195 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.258 -9.389 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.912 -10.775 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.252 -9.186 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.774 -10.765 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.673 -9.374 -2.428 1.00 0.00 H new ATOM 1382 N LYS A 87 8.595 -10.228 2.570 1.00 0.00 N ATOM 1383 CA LYS A 87 7.878 -11.062 3.534 1.00 0.00 C ATOM 1384 C LYS A 87 6.380 -10.799 3.466 1.00 0.00 C ATOM 1385 O LYS A 87 5.569 -11.594 3.947 1.00 0.00 O ATOM 1386 CB LYS A 87 8.378 -10.806 4.957 1.00 0.00 C ATOM 1387 CG LYS A 87 9.762 -11.363 5.228 1.00 0.00 C ATOM 1388 CD LYS A 87 10.192 -11.102 6.660 1.00 0.00 C ATOM 1389 CE LYS A 87 11.525 -11.759 6.969 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.847 -11.704 8.417 1.00 0.00 N ATOM 0 H LYS A 87 9.192 -9.516 2.990 1.00 0.00 H new ATOM 0 HA LYS A 87 8.069 -12.103 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.386 -9.732 5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.675 -11.246 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.769 -12.436 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.479 -10.911 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.267 -10.028 6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.432 -11.480 7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.502 -12.798 6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.314 -11.264 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.765 -12.163 8.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.894 -10.712 8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.108 -12.199 8.956 1.00 0.00 H new ATOM 1404 N CYS A 88 6.026 -9.680 2.864 1.00 0.00 N ATOM 1405 CA CYS A 88 4.638 -9.286 2.721 1.00 0.00 C ATOM 1406 C CYS A 88 4.158 -9.541 1.297 1.00 0.00 C ATOM 1407 O CYS A 88 2.959 -9.528 1.017 1.00 0.00 O ATOM 1408 CB CYS A 88 4.479 -7.817 3.102 1.00 0.00 C ATOM 1409 SG CYS A 88 4.490 -7.535 4.901 1.00 0.00 S ATOM 0 H CYS A 88 6.691 -9.020 2.461 1.00 0.00 H new ATOM 0 HA CYS A 88 4.022 -9.885 3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.284 -7.241 2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.544 -7.440 2.688 1.00 0.00 H new ATOM 1414 N VAL A 89 5.113 -9.768 0.399 1.00 0.00 N ATOM 1415 CA VAL A 89 4.808 -10.133 -0.970 1.00 0.00 C ATOM 1416 C VAL A 89 4.451 -11.607 -1.035 1.00 0.00 C ATOM 1417 O VAL A 89 5.250 -12.464 -0.655 1.00 0.00 O ATOM 1418 CB VAL A 89 6.000 -9.871 -1.912 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.648 -10.269 -3.333 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.431 -8.417 -1.860 1.00 0.00 C ATOM 0 H VAL A 89 6.110 -9.703 0.603 1.00 0.00 H new ATOM 0 HA VAL A 89 3.969 -9.518 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 89 6.837 -10.482 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.500 -10.078 -3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.399 -11.330 -3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.792 -9.686 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.273 -8.263 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.601 -7.780 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.729 -8.162 -0.843 1.00 0.00 H new ATOM 1430 N ASP A 90 3.250 -11.899 -1.494 1.00 0.00 N ATOM 1431 CA ASP A 90 2.809 -13.273 -1.631 1.00 0.00 C ATOM 1432 C ASP A 90 1.896 -13.412 -2.848 1.00 0.00 C ATOM 1433 O ASP A 90 1.642 -12.429 -3.552 1.00 0.00 O ATOM 1434 CB ASP A 90 2.107 -13.734 -0.349 1.00 0.00 C ATOM 1435 CG ASP A 90 2.002 -15.243 -0.250 1.00 0.00 C ATOM 1436 OD1 ASP A 90 0.943 -15.796 -0.614 1.00 0.00 O ATOM 1437 OD2 ASP A 90 2.984 -15.883 0.185 1.00 0.00 O ATOM 0 H ASP A 90 2.561 -11.202 -1.779 1.00 0.00 H new ATOM 0 HA ASP A 90 3.676 -13.915 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.652 -13.354 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.107 -13.301 -0.311 1.00 0.00 H new ATOM 1442 N LYS A 91 1.406 -14.619 -3.087 1.00 0.00 N ATOM 1443 CA LYS A 91 0.626 -14.925 -4.280 1.00 0.00 C ATOM 1444 C LYS A 91 -0.803 -14.401 -4.159 1.00 0.00 C ATOM 1445 O LYS A 91 -1.310 -14.173 -3.058 1.00 0.00 O ATOM 1446 CB LYS A 91 0.608 -16.435 -4.517 1.00 0.00 C ATOM 1447 CG LYS A 91 1.980 -17.083 -4.386 1.00 0.00 C ATOM 1448 CD LYS A 91 2.916 -16.665 -5.512 1.00 0.00 C ATOM 1449 CE LYS A 91 2.537 -17.312 -6.839 1.00 0.00 C ATOM 1450 NZ LYS A 91 2.774 -18.782 -6.833 1.00 0.00 N ATOM 0 H LYS A 91 1.537 -15.414 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 91 1.097 -14.428 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.075 -16.899 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.214 -16.634 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.421 -16.809 -3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.871 -18.168 -4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.894 -15.580 -5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.939 -16.939 -5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.486 -17.116 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.115 -16.855 -7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.733 -19.144 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.711 -18.981 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.043 -19.249 -6.259 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.438 -14.208 -5.308 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.816 -13.730 -5.377 1.00 0.00 C ATOM 1466 C ASN A 92 -3.793 -14.872 -5.103 1.00 0.00 C ATOM 1467 O ASN A 92 -4.469 -15.365 -6.005 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.083 -13.123 -6.759 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.461 -12.495 -6.897 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.087 -12.095 -5.913 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.926 -12.387 -8.134 1.00 0.00 N ATOM 0 H ASN A 92 -1.013 -14.378 -6.220 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.963 -12.964 -4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.326 -12.366 -6.965 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.971 -13.900 -7.515 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.837 -11.959 -8.301 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.373 -12.732 -8.919 1.00 0.00 H new ATOM 1478 N THR A 93 -3.847 -15.290 -3.848 1.00 0.00 N ATOM 1479 CA THR A 93 -4.714 -16.381 -3.435 1.00 0.00 C ATOM 1480 C THR A 93 -6.162 -15.921 -3.293 1.00 0.00 C ATOM 1481 O THR A 93 -7.087 -16.734 -3.303 1.00 0.00 O ATOM 1482 CB THR A 93 -4.228 -16.979 -2.104 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.101 -15.943 -1.120 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.887 -17.667 -2.288 1.00 0.00 C ATOM 0 H THR A 93 -3.295 -14.885 -3.092 1.00 0.00 H new ATOM 0 HA THR A 93 -4.672 -17.145 -4.212 1.00 0.00 H new ATOM 0 HB THR A 93 -4.960 -17.714 -1.768 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.793 -16.331 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.558 -18.084 -1.336 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.987 -18.468 -3.020 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.152 -16.943 -2.640 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.354 -14.613 -3.163 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.694 -14.042 -3.052 1.00 0.00 C ATOM 1494 C ASP A 94 -8.368 -13.969 -4.413 1.00 0.00 C ATOM 1495 O ASP A 94 -9.586 -13.810 -4.503 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.651 -12.642 -2.432 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.541 -12.663 -0.922 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -6.497 -13.097 -0.402 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -8.501 -12.228 -0.246 1.00 0.00 O ATOM 0 H ASP A 94 -5.600 -13.927 -3.132 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.271 -14.699 -2.401 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.803 -12.095 -2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.551 -12.097 -2.717 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.557 -14.078 -5.465 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.034 -14.026 -6.847 1.00 0.00 C ATOM 1506 C ASN A 95 -8.701 -12.692 -7.164 1.00 0.00 C ATOM 1507 O ASN A 95 -9.469 -12.582 -8.118 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.989 -15.185 -7.138 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.282 -16.521 -7.154 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.109 -16.611 -7.520 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -8.984 -17.567 -6.759 1.00 0.00 N ATOM 0 H ASN A 95 -6.548 -14.205 -5.383 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.162 -14.123 -7.494 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.776 -15.202 -6.384 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.473 -15.021 -8.101 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.557 -18.493 -6.749 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.953 -17.449 -6.464 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.387 -11.676 -6.374 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.977 -10.357 -6.550 1.00 0.00 C ATOM 1520 C ASN A 96 -7.925 -9.284 -6.299 1.00 0.00 C ATOM 1521 O ASN A 96 -7.269 -9.283 -5.260 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.164 -10.188 -5.595 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.702 -8.770 -5.577 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.259 -7.939 -4.788 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.664 -8.485 -6.440 1.00 0.00 N ATOM 0 H ASN A 96 -7.724 -11.740 -5.602 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.339 -10.254 -7.573 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.961 -10.871 -5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.858 -10.469 -4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -12.064 -7.547 -6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -12.005 -9.203 -7.079 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.777 -8.377 -7.260 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.718 -7.370 -7.228 1.00 0.00 C ATOM 1534 C ALA A 97 -6.872 -6.406 -6.056 1.00 0.00 C ATOM 1535 O ALA A 97 -5.877 -5.955 -5.493 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.672 -6.605 -8.541 1.00 0.00 C ATOM 0 H ALA A 97 -8.383 -8.318 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.775 -7.899 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.878 -5.859 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.477 -7.298 -9.359 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.628 -6.108 -8.706 1.00 0.00 H new ATOM 1542 N CYS A 98 -8.111 -6.087 -5.691 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.358 -5.233 -4.531 1.00 0.00 C ATOM 1544 C CYS A 98 -7.847 -5.912 -3.266 1.00 0.00 C ATOM 1545 O CYS A 98 -7.255 -5.277 -2.396 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.849 -4.916 -4.378 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.608 -4.115 -5.827 1.00 0.00 S ATOM 0 H CYS A 98 -8.952 -6.402 -6.175 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.824 -4.296 -4.686 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.384 -5.842 -4.170 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.982 -4.269 -3.511 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.054 -7.218 -3.193 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.650 -8.004 -2.037 1.00 0.00 C ATOM 1554 C HIS A 99 -6.143 -8.231 -2.029 1.00 0.00 C ATOM 1555 O HIS A 99 -5.526 -8.308 -0.968 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.372 -9.354 -2.039 1.00 0.00 C ATOM 1557 CG HIS A 99 -9.795 -9.314 -1.560 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -10.310 -10.257 -0.699 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -10.817 -8.465 -1.836 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -11.580 -9.993 -0.466 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -11.913 -8.909 -1.142 1.00 0.00 N ATOM 0 H HIS A 99 -8.505 -7.761 -3.930 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.922 -7.447 -1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.357 -9.756 -3.052 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.813 -10.049 -1.412 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -9.789 -11.039 -0.303 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -10.775 -7.601 -2.482 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -12.237 -10.567 0.171 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -12.835 -8.473 -1.147 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.558 -8.326 -3.218 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.134 -8.626 -3.354 1.00 0.00 C ATOM 1572 C TRP A 100 -3.288 -7.446 -2.885 1.00 0.00 C ATOM 1573 O TRP A 100 -2.397 -7.600 -2.046 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.801 -8.980 -4.810 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.416 -9.532 -5.007 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.512 -9.874 -4.040 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.788 -9.825 -6.261 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.360 -10.350 -4.616 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.506 -10.333 -5.978 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.186 -9.706 -7.595 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.379 -10.721 -6.981 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.308 -10.093 -8.588 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.040 -10.593 -8.279 1.00 0.00 C ATOM 0 H TRP A 100 -6.047 -8.200 -4.104 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.901 -9.485 -2.725 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.526 -9.710 -5.170 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.915 -8.087 -5.425 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.680 -9.783 -2.977 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.469 -10.665 -4.112 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.163 -9.318 -7.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.359 -11.108 -6.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.607 -10.008 -9.622 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.623 -10.884 -9.080 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.583 -6.268 -3.419 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.861 -5.059 -3.046 1.00 0.00 C ATOM 1596 C ALA A 101 -3.063 -4.747 -1.572 1.00 0.00 C ATOM 1597 O ALA A 101 -2.146 -4.291 -0.885 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.316 -3.892 -3.900 1.00 0.00 C ATOM 0 H ALA A 101 -4.317 -6.124 -4.112 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.798 -5.225 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.769 -2.995 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.123 -4.112 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.384 -3.729 -3.754 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.266 -5.021 -1.088 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.605 -4.761 0.298 1.00 0.00 C ATOM 1606 C PHE A 102 -3.873 -5.734 1.222 1.00 0.00 C ATOM 1607 O PHE A 102 -3.576 -5.412 2.369 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.115 -4.858 0.498 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.576 -4.436 1.868 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.974 -5.373 2.809 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.612 -3.093 2.209 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.397 -4.977 4.064 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.034 -2.692 3.460 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.427 -3.635 4.390 1.00 0.00 C ATOM 0 H PHE A 102 -5.024 -5.425 -1.639 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.287 -3.750 0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.611 -4.238 -0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.430 -5.886 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.953 -6.423 2.559 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.306 -2.351 1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.704 -5.716 4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.057 -1.642 3.712 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.757 -3.324 5.370 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.567 -6.918 0.698 1.00 0.00 N ATOM 1625 CA ARG A 103 -2.879 -7.950 1.468 1.00 0.00 C ATOM 1626 C ARG A 103 -1.447 -7.523 1.757 1.00 0.00 C ATOM 1627 O ARG A 103 -0.946 -7.701 2.873 1.00 0.00 O ATOM 1628 CB ARG A 103 -2.886 -9.281 0.711 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.316 -10.430 1.525 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.455 -11.773 0.811 1.00 0.00 C ATOM 1631 NE ARG A 103 -1.928 -12.869 1.627 1.00 0.00 N ATOM 1632 CZ ARG A 103 -1.293 -13.939 1.142 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -1.145 -14.111 -0.169 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -0.812 -14.853 1.976 1.00 0.00 N ATOM 0 H ARG A 103 -3.786 -7.187 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.407 -8.084 2.412 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.908 -9.522 0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.310 -9.173 -0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.263 -10.238 1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.826 -10.478 2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.505 -11.959 0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.924 -11.738 -0.140 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.055 -12.811 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.519 -13.420 -0.819 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.657 -14.934 -0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.928 -14.736 2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.326 -15.672 1.610 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.801 -6.949 0.749 1.00 0.00 N ATOM 1649 CA GLY A 104 0.555 -6.464 0.914 1.00 0.00 C ATOM 1650 C GLY A 104 0.614 -5.291 1.872 1.00 0.00 C ATOM 1651 O GLY A 104 1.490 -5.221 2.735 1.00 0.00 O ATOM 0 H GLY A 104 -1.194 -6.811 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.188 -7.270 1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.955 -6.164 -0.054 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.345 -4.384 1.725 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.417 -3.192 2.557 1.00 0.00 C ATOM 1657 C PHE A 105 -0.684 -3.568 4.012 1.00 0.00 C ATOM 1658 O PHE A 105 -0.007 -3.083 4.916 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.501 -2.258 2.011 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.790 -1.055 2.866 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.758 -0.246 3.320 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -3.095 -0.714 3.193 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -1.022 0.874 4.085 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.362 0.403 3.959 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.325 1.198 4.404 1.00 0.00 C ATOM 0 H PHE A 105 -1.089 -4.454 1.031 1.00 0.00 H new ATOM 0 HA PHE A 105 0.539 -2.669 2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.201 -1.918 1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.422 -2.827 1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.263 -0.495 3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.911 -1.330 2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.210 1.495 4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.382 0.655 4.210 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.533 2.073 5.002 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.650 -4.463 4.219 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.015 -4.933 5.558 1.00 0.00 C ATOM 1677 C LYS A 106 -0.794 -5.491 6.275 1.00 0.00 C ATOM 1678 O LYS A 106 -0.463 -5.072 7.384 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.065 -6.048 5.491 1.00 0.00 C ATOM 1680 CG LYS A 106 -4.061 -6.027 6.637 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.914 -7.288 6.654 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.798 -7.364 7.892 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.862 -6.327 7.892 1.00 0.00 N ATOM 0 H LYS A 106 -2.200 -4.881 3.469 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.421 -4.077 6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.608 -5.966 4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -2.556 -7.012 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -3.528 -5.934 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.704 -5.152 6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.538 -7.315 5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.266 -8.164 6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.257 -8.351 7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.181 -7.248 8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.859 -5.827 8.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.685 -5.648 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.787 -6.779 7.748 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.138 -6.437 5.623 1.00 0.00 N ATOM 1698 CA CYS A 107 1.000 -7.136 6.201 1.00 0.00 C ATOM 1699 C CYS A 107 2.111 -6.171 6.607 1.00 0.00 C ATOM 1700 O CYS A 107 2.714 -6.312 7.675 1.00 0.00 O ATOM 1701 CB CYS A 107 1.529 -8.168 5.197 1.00 0.00 C ATOM 1702 SG CYS A 107 3.152 -8.881 5.623 1.00 0.00 S ATOM 0 H CYS A 107 -0.378 -6.742 4.680 1.00 0.00 H new ATOM 0 HA CYS A 107 0.665 -7.643 7.106 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.803 -8.977 5.111 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.600 -7.698 4.216 1.00 0.00 H new ATOM 1707 N PHE A 108 2.366 -5.181 5.760 1.00 0.00 N ATOM 1708 CA PHE A 108 3.492 -4.288 5.963 1.00 0.00 C ATOM 1709 C PHE A 108 3.204 -3.258 7.053 1.00 0.00 C ATOM 1710 O PHE A 108 4.024 -3.064 7.946 1.00 0.00 O ATOM 1711 CB PHE A 108 3.868 -3.597 4.657 1.00 0.00 C ATOM 1712 CG PHE A 108 5.238 -2.979 4.691 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.358 -3.739 4.383 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.412 -1.650 5.040 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.620 -3.182 4.421 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.674 -1.089 5.078 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.778 -1.857 4.769 1.00 0.00 C ATOM 0 H PHE A 108 1.808 -4.980 4.930 1.00 0.00 H new ATOM 0 HA PHE A 108 4.337 -4.891 6.296 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.822 -4.321 3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.132 -2.824 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.240 -4.777 4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.551 -1.045 5.285 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.484 -3.784 4.178 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.796 -0.051 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.765 -1.421 4.800 1.00 0.00 H new ATOM 1727 N GLN A 109 2.032 -2.619 7.006 1.00 0.00 N ATOM 1728 CA GLN A 109 1.695 -1.585 7.982 1.00 0.00 C ATOM 1729 C GLN A 109 1.553 -2.184 9.377 1.00 0.00 C ATOM 1730 O GLN A 109 1.678 -1.485 10.382 1.00 0.00 O ATOM 1731 CB GLN A 109 0.401 -0.865 7.604 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.811 -1.775 7.534 1.00 0.00 C ATOM 1733 CD GLN A 109 -2.119 -1.024 7.690 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -2.223 0.149 7.339 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.130 -1.700 8.216 1.00 0.00 N ATOM 0 H GLN A 109 1.309 -2.798 6.309 1.00 0.00 H new ATOM 0 HA GLN A 109 2.510 -0.862 7.982 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.210 -0.077 8.332 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.536 -0.380 6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.811 -2.300 6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.737 -2.532 8.314 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.003 -2.673 8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.035 -1.247 8.342 1.00 0.00 H new ATOM 1744 N LYS A 110 1.301 -3.486 9.423 1.00 0.00 N ATOM 1745 CA LYS A 110 1.141 -4.200 10.675 1.00 0.00 C ATOM 1746 C LYS A 110 2.445 -4.161 11.469 1.00 0.00 C ATOM 1747 O LYS A 110 2.437 -4.148 12.700 1.00 0.00 O ATOM 1748 CB LYS A 110 0.709 -5.642 10.367 1.00 0.00 C ATOM 1749 CG LYS A 110 0.218 -6.449 11.561 1.00 0.00 C ATOM 1750 CD LYS A 110 1.360 -7.034 12.378 1.00 0.00 C ATOM 1751 CE LYS A 110 0.846 -7.997 13.437 1.00 0.00 C ATOM 1752 NZ LYS A 110 0.161 -9.172 12.835 1.00 0.00 N ATOM 0 H LYS A 110 1.203 -4.072 8.594 1.00 0.00 H new ATOM 0 HA LYS A 110 0.373 -3.727 11.287 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.084 -5.613 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.552 -6.167 9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.392 -5.811 12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.424 -7.257 11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.054 -7.554 11.717 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.918 -6.229 12.856 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.679 -8.338 14.052 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.155 -7.474 14.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.113 -9.941 13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.802 -8.903 12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.693 -9.494 12.001 1.00 0.00 H new ATOM 1766 N ASN A 111 3.564 -4.112 10.756 1.00 0.00 N ATOM 1767 CA ASN A 111 4.873 -4.082 11.398 1.00 0.00 C ATOM 1768 C ASN A 111 5.544 -2.725 11.217 1.00 0.00 C ATOM 1769 O ASN A 111 6.303 -2.282 12.076 1.00 0.00 O ATOM 1770 CB ASN A 111 5.790 -5.176 10.836 1.00 0.00 C ATOM 1771 CG ASN A 111 5.295 -6.583 11.122 1.00 0.00 C ATOM 1772 OD1 ASN A 111 5.620 -7.166 12.155 1.00 0.00 O ATOM 1773 ND2 ASN A 111 4.520 -7.145 10.204 1.00 0.00 N ATOM 0 H ASN A 111 3.592 -4.092 9.737 1.00 0.00 H new ATOM 0 HA ASN A 111 4.712 -4.262 12.461 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.883 -5.044 9.758 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.787 -5.057 11.259 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.172 -8.094 10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.272 -6.629 9.360 1.00 0.00 H new ATOM 1780 N ASN A 112 5.253 -2.059 10.105 1.00 0.00 N ATOM 1781 CA ASN A 112 5.974 -0.845 9.733 1.00 0.00 C ATOM 1782 C ASN A 112 5.037 0.239 9.221 1.00 0.00 C ATOM 1783 O ASN A 112 5.102 0.607 8.050 1.00 0.00 O ATOM 1784 CB ASN A 112 6.994 -1.154 8.635 1.00 0.00 C ATOM 1785 CG ASN A 112 8.124 -2.055 9.085 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.651 -1.919 10.191 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.482 -3.008 8.240 1.00 0.00 N ATOM 0 H ASN A 112 4.525 -2.337 9.447 1.00 0.00 H new ATOM 0 HA ASN A 112 6.473 -0.484 10.632 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.480 -1.623 7.796 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.413 -0.217 8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.220 -3.665 8.495 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.020 -3.086 7.334 1.00 0.00 H new ATOM 1794 N LEU A 113 4.173 0.764 10.074 1.00 0.00 N ATOM 1795 CA LEU A 113 3.273 1.828 9.641 1.00 0.00 C ATOM 1796 C LEU A 113 3.968 3.186 9.696 1.00 0.00 C ATOM 1797 O LEU A 113 3.760 4.041 8.831 1.00 0.00 O ATOM 1798 CB LEU A 113 1.991 1.853 10.475 1.00 0.00 C ATOM 1799 CG LEU A 113 1.053 3.018 10.169 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.568 2.938 8.731 1.00 0.00 C ATOM 1801 CD2 LEU A 113 -0.119 3.020 11.136 1.00 0.00 C ATOM 0 H LEU A 113 4.073 0.482 11.049 1.00 0.00 H new ATOM 0 HA LEU A 113 2.998 1.620 8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.452 0.919 10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.261 1.889 11.530 1.00 0.00 H new ATOM 0 HG LEU A 113 1.599 3.953 10.295 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.100 3.774 8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.423 2.982 8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.033 2.000 8.579 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.779 3.856 10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.671 2.085 11.041 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.251 3.120 12.156 1.00 0.00 H new ATOM 1813 N SER A 114 4.808 3.376 10.703 1.00 0.00 N ATOM 1814 CA SER A 114 5.541 4.628 10.863 1.00 0.00 C ATOM 1815 C SER A 114 6.495 4.851 9.691 1.00 0.00 C ATOM 1816 O SER A 114 6.720 5.988 9.268 1.00 0.00 O ATOM 1817 CB SER A 114 6.312 4.622 12.183 1.00 0.00 C ATOM 1818 OG SER A 114 5.435 4.411 13.279 1.00 0.00 O ATOM 0 H SER A 114 5.001 2.680 11.423 1.00 0.00 H new ATOM 0 HA SER A 114 4.823 5.448 10.878 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.070 3.839 12.163 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.835 5.570 12.308 1.00 0.00 H new ATOM 0 HG SER A 114 5.949 4.409 14.113 1.00 0.00 H new ATOM 1824 N LEU A 115 7.039 3.761 9.166 1.00 0.00 N ATOM 1825 CA LEU A 115 7.914 3.818 8.008 1.00 0.00 C ATOM 1826 C LEU A 115 7.137 4.267 6.778 1.00 0.00 C ATOM 1827 O LEU A 115 7.646 5.022 5.954 1.00 0.00 O ATOM 1828 CB LEU A 115 8.547 2.452 7.759 1.00 0.00 C ATOM 1829 CG LEU A 115 9.502 2.390 6.570 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.705 3.279 6.823 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.931 0.956 6.300 1.00 0.00 C ATOM 0 H LEU A 115 6.886 2.820 9.529 1.00 0.00 H new ATOM 0 HA LEU A 115 8.704 4.542 8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.088 2.150 8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.752 1.722 7.605 1.00 0.00 H new ATOM 0 HG LEU A 115 8.983 2.755 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.381 3.228 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.374 4.308 6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.226 2.940 7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.611 0.934 5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.436 0.556 7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.053 0.349 6.079 1.00 0.00 H new ATOM 1843 N ILE A 116 5.894 3.812 6.680 1.00 0.00 N ATOM 1844 CA ILE A 116 5.027 4.173 5.567 1.00 0.00 C ATOM 1845 C ILE A 116 4.788 5.679 5.559 1.00 0.00 C ATOM 1846 O ILE A 116 4.849 6.331 4.515 1.00 0.00 O ATOM 1847 CB ILE A 116 3.676 3.424 5.649 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.899 1.914 5.521 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.720 3.914 4.574 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.625 1.104 5.593 1.00 0.00 C ATOM 0 H ILE A 116 5.463 3.189 7.362 1.00 0.00 H new ATOM 0 HA ILE A 116 5.523 3.882 4.641 1.00 0.00 H new ATOM 0 HB ILE A 116 3.227 3.630 6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.397 1.708 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.573 1.587 6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.777 3.373 4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.538 4.980 4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.158 3.741 3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.861 0.044 5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.136 1.280 6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.958 1.403 4.785 1.00 0.00 H new ATOM 1862 N LYS A 117 4.551 6.225 6.743 1.00 0.00 N ATOM 1863 CA LYS A 117 4.346 7.656 6.907 1.00 0.00 C ATOM 1864 C LYS A 117 5.630 8.428 6.600 1.00 0.00 C ATOM 1865 O LYS A 117 5.588 9.555 6.110 1.00 0.00 O ATOM 1866 CB LYS A 117 3.877 7.962 8.330 1.00 0.00 C ATOM 1867 CG LYS A 117 2.475 7.445 8.636 1.00 0.00 C ATOM 1868 CD LYS A 117 2.073 7.736 10.076 1.00 0.00 C ATOM 1869 CE LYS A 117 0.656 7.265 10.378 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.283 7.518 11.795 1.00 0.00 N ATOM 0 H LYS A 117 4.496 5.693 7.611 1.00 0.00 H new ATOM 0 HA LYS A 117 3.577 7.974 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.580 7.522 9.038 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.900 9.040 8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.759 7.908 7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.435 6.371 8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.771 7.244 10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.147 8.807 10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.046 7.777 9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.573 6.199 10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.688 7.185 11.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.938 7.009 12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.338 8.538 11.992 1.00 0.00 H new ATOM 1884 N ALA A 118 6.768 7.807 6.891 1.00 0.00 N ATOM 1885 CA ALA A 118 8.070 8.424 6.658 1.00 0.00 C ATOM 1886 C ALA A 118 8.451 8.393 5.182 1.00 0.00 C ATOM 1887 O ALA A 118 9.154 9.277 4.693 1.00 0.00 O ATOM 1888 CB ALA A 118 9.124 7.715 7.482 1.00 0.00 C ATOM 0 H ALA A 118 6.815 6.870 7.292 1.00 0.00 H new ATOM 0 HA ALA A 118 8.008 9.469 6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.095 8.178 7.306 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.872 7.792 8.540 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.165 6.664 7.194 1.00 0.00 H new ATOM 1894 N SER A 119 7.989 7.369 4.481 1.00 0.00 N ATOM 1895 CA SER A 119 8.290 7.206 3.064 1.00 0.00 C ATOM 1896 C SER A 119 7.741 8.370 2.240 1.00 0.00 C ATOM 1897 O SER A 119 8.399 8.860 1.324 1.00 0.00 O ATOM 1898 CB SER A 119 7.716 5.883 2.560 1.00 0.00 C ATOM 1899 OG SER A 119 8.162 4.803 3.359 1.00 0.00 O ATOM 0 H SER A 119 7.400 6.633 4.872 1.00 0.00 H new ATOM 0 HA SER A 119 9.374 7.197 2.946 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.627 5.926 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.016 5.723 1.524 1.00 0.00 H new ATOM 0 HG SER A 119 7.640 4.772 4.188 1.00 0.00 H new ATOM 1905 N ILE A 120 6.538 8.815 2.582 1.00 0.00 N ATOM 1906 CA ILE A 120 5.903 9.921 1.872 1.00 0.00 C ATOM 1907 C ILE A 120 6.243 11.261 2.517 1.00 0.00 C ATOM 1908 O ILE A 120 5.735 12.308 2.107 1.00 0.00 O ATOM 1909 CB ILE A 120 4.370 9.764 1.839 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.818 9.659 3.259 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.979 8.542 1.022 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.313 9.764 3.332 1.00 0.00 C ATOM 0 H ILE A 120 5.982 8.428 3.345 1.00 0.00 H new ATOM 0 HA ILE A 120 6.289 9.899 0.853 1.00 0.00 H new ATOM 0 HB ILE A 120 3.939 10.646 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.129 8.708 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.259 10.446 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.893 8.445 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.346 8.654 0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.417 7.650 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.992 9.681 4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.995 10.726 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.863 8.961 2.748 1.00 0.00 H new ATOM 1924 N LYS A 121 7.097 11.226 3.529 1.00 0.00 N ATOM 1925 CA LYS A 121 7.468 12.427 4.253 1.00 0.00 C ATOM 1926 C LYS A 121 8.512 13.222 3.484 1.00 0.00 C ATOM 1927 O LYS A 121 9.482 12.665 2.969 1.00 0.00 O ATOM 1928 CB LYS A 121 8.000 12.068 5.638 1.00 0.00 C ATOM 1929 CG LYS A 121 8.347 13.280 6.489 1.00 0.00 C ATOM 1930 CD LYS A 121 8.714 12.887 7.912 1.00 0.00 C ATOM 1931 CE LYS A 121 7.528 12.287 8.655 1.00 0.00 C ATOM 1932 NZ LYS A 121 6.365 13.216 8.690 1.00 0.00 N ATOM 0 H LYS A 121 7.546 10.375 3.866 1.00 0.00 H new ATOM 0 HA LYS A 121 6.577 13.045 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 121 7.254 11.469 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.888 11.446 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 121 9.180 13.817 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.499 13.965 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 121 9.532 12.167 7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.075 13.764 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 121 7.233 11.354 8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.826 12.040 9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.683 12.891 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.692 14.173 8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.907 13.234 7.757 1.00 0.00 H new ATOM 1946 N LYS A 122 8.304 14.523 3.410 1.00 0.00 N ATOM 1947 CA LYS A 122 9.244 15.406 2.749 1.00 0.00 C ATOM 1948 C LYS A 122 10.117 16.093 3.787 1.00 0.00 C ATOM 1949 O LYS A 122 9.720 17.096 4.383 1.00 0.00 O ATOM 1950 CB LYS A 122 8.542 16.462 1.883 1.00 0.00 C ATOM 1951 CG LYS A 122 7.153 16.078 1.376 1.00 0.00 C ATOM 1952 CD LYS A 122 6.046 16.347 2.390 1.00 0.00 C ATOM 1953 CE LYS A 122 5.891 17.830 2.683 1.00 0.00 C ATOM 1954 NZ LYS A 122 4.630 18.118 3.416 1.00 0.00 N ATOM 0 H LYS A 122 7.488 14.993 3.802 1.00 0.00 H new ATOM 0 HA LYS A 122 9.857 14.795 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.457 17.383 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.176 16.682 1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.941 16.632 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.148 15.020 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.103 15.952 2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.265 15.815 3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.741 18.175 3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.904 18.389 1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.731 19.008 3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.846 18.204 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.430 17.343 4.080 1.00 0.00 H new ATOM 1968 N ASP A 123 11.292 15.522 4.011 1.00 0.00 N ATOM 1969 CA ASP A 123 12.262 16.082 4.946 1.00 0.00 C ATOM 1970 C ASP A 123 12.739 17.435 4.453 1.00 0.00 C ATOM 1971 O ASP A 123 12.429 18.452 5.101 1.00 0.00 O ATOM 1972 CB ASP A 123 13.467 15.152 5.122 1.00 0.00 C ATOM 1973 CG ASP A 123 13.108 13.827 5.759 1.00 0.00 C ATOM 1974 OD1 ASP A 123 12.834 13.804 6.979 1.00 0.00 O ATOM 1975 OD2 ASP A 123 13.121 12.799 5.051 1.00 0.00 O ATOM 1976 OXT ASP A 123 13.404 17.476 3.397 1.00 0.00 O ATOM 0 H ASP A 123 11.600 14.664 3.554 1.00 0.00 H new ATOM 0 HA ASP A 123 11.768 16.194 5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 123 13.922 14.969 4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.217 15.651 5.735 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.672 6.751 2.298 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.903 5.503 1.941 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.804 5.843 0.941 1.00 0.00 C HETATM 1985 C4 ACD A 201 -2.032 4.593 0.516 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.354 3.983 1.711 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.113 4.304 1.983 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.577 5.367 1.164 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.846 5.812 1.840 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.990 5.245 1.539 1.00 0.00 C HETATM 1991 C10 ACD A 201 3.052 4.193 0.465 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.443 3.618 0.395 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.614 2.336 0.212 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.430 1.446 -0.037 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.929 0.925 1.281 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.879 -0.363 1.501 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.426 -1.321 0.477 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.615 -2.695 1.107 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.899 -3.756 0.046 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.161 -5.113 0.696 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.301 -6.207 -0.360 1.00 0.00 C HETATM 2002 O1 ACD A 201 -4.391 7.820 1.717 1.00 0.00 O HETATM 2003 O2 ACD A 201 -5.568 6.670 3.158 1.00 0.00 O HETATM 0 H203 ACD A 201 3.382 -6.270 -0.943 1.00 0.00 H new HETATM 0 H202 ACD A 201 5.134 -5.970 -1.021 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.487 -7.163 0.129 1.00 0.00 H new HETATM 0 H192 ACD A 201 5.069 -5.063 1.296 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.344 -5.359 1.374 1.00 0.00 H new HETATM 0 H182 ACD A 201 3.052 -3.831 -0.636 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.762 -3.460 -0.550 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.439 -2.661 1.820 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.720 -2.967 1.667 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.744 -1.390 -0.371 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.377 -0.953 0.092 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.642 2.000 -0.548 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.711 0.618 -0.688 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.332 3.402 0.675 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.778 4.626 -0.497 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.897 5.537 2.068 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.814 6.609 2.583 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.804 4.979 0.171 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.088 6.220 1.029 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.417 3.807 2.795 1.00 0.00 H new HETATM 0 H5 ACD A 201 -1.891 3.279 2.347 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.712 3.871 0.064 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.292 4.851 -0.241 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.242 6.318 0.063 1.00 0.00 H new HETATM 0 H31 ACD A 201 -2.117 6.564 1.384 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.468 5.064 2.839 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.576 4.759 1.516 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.442 -0.742 2.425 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.607 1.622 2.055 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.618 1.911 0.240 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.308 4.273 0.497 1.00 0.00 H new