USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 604 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.914 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.273 F(o=-1.2,f=-0.27) USER MOD Single : A 17 MET CE :methyl 158:sc= -1.03 (180deg=-2.11) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -118:sc= 1.29 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.093) USER MOD Single : A 51 GLN : amide:sc= -4.65! C(o=-4.6!,f=-9.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -145:sc= -0.522 (180deg=-1.53!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0419 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -0.603! C(o=-0.6!,f=-5.1!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.77 K(o=-0.77,f=-1.9) USER MOD Single : A 77 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.5) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.367 7.162 18.069 1.00 0.00 N ATOM 2 CA GLY A 1 -31.310 7.252 17.079 1.00 0.00 C ATOM 3 C GLY A 1 -31.227 6.015 16.205 1.00 0.00 C ATOM 4 O GLY A 1 -31.039 4.906 16.705 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.382 8.031 18.640 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.283 7.047 17.590 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.195 6.344 18.688 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.479 8.126 16.451 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.355 7.401 17.584 1.00 0.00 H new ATOM 8 N SER A 2 -31.368 6.206 14.898 1.00 0.00 N ATOM 9 CA SER A 2 -31.313 5.095 13.954 1.00 0.00 C ATOM 10 C SER A 2 -30.337 5.395 12.819 1.00 0.00 C ATOM 11 O SER A 2 -30.586 6.265 11.985 1.00 0.00 O ATOM 12 CB SER A 2 -32.704 4.813 13.384 1.00 0.00 C ATOM 13 OG SER A 2 -33.163 5.900 12.599 1.00 0.00 O ATOM 0 H SER A 2 -31.521 7.118 14.468 1.00 0.00 H new ATOM 0 HA SER A 2 -30.962 4.213 14.489 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.675 3.908 12.777 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.404 4.628 14.199 1.00 0.00 H new ATOM 0 HG SER A 2 -32.395 6.393 12.242 1.00 0.00 H new ATOM 19 N SER A 3 -29.226 4.667 12.795 1.00 0.00 N ATOM 20 CA SER A 3 -28.210 4.857 11.767 1.00 0.00 C ATOM 21 C SER A 3 -28.115 3.630 10.864 1.00 0.00 C ATOM 22 O SER A 3 -27.849 2.523 11.329 1.00 0.00 O ATOM 23 CB SER A 3 -26.850 5.138 12.408 1.00 0.00 C ATOM 24 OG SER A 3 -26.935 6.202 13.340 1.00 0.00 O ATOM 0 H SER A 3 -29.006 3.940 13.476 1.00 0.00 H new ATOM 0 HA SER A 3 -28.500 5.714 11.159 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.488 4.240 12.909 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.124 5.386 11.634 1.00 0.00 H new ATOM 0 HG SER A 3 -26.053 6.361 13.737 1.00 0.00 H new ATOM 30 N GLY A 4 -28.336 3.837 9.570 1.00 0.00 N ATOM 31 CA GLY A 4 -28.272 2.740 8.621 1.00 0.00 C ATOM 32 C GLY A 4 -29.618 2.439 7.991 1.00 0.00 C ATOM 33 O GLY A 4 -30.098 1.307 8.049 1.00 0.00 O ATOM 0 H GLY A 4 -28.558 4.745 9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.554 2.983 7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.903 1.847 9.126 1.00 0.00 H new ATOM 37 N SER A 5 -30.228 3.455 7.389 1.00 0.00 N ATOM 38 CA SER A 5 -31.530 3.295 6.751 1.00 0.00 C ATOM 39 C SER A 5 -31.471 3.718 5.286 1.00 0.00 C ATOM 40 O SER A 5 -32.391 4.355 4.775 1.00 0.00 O ATOM 41 CB SER A 5 -32.588 4.117 7.489 1.00 0.00 C ATOM 42 OG SER A 5 -32.338 5.506 7.358 1.00 0.00 O ATOM 0 H SER A 5 -29.842 4.397 7.330 1.00 0.00 H new ATOM 0 HA SER A 5 -31.803 2.241 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.576 3.883 7.093 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.595 3.843 8.544 1.00 0.00 H new ATOM 0 HG SER A 5 -33.029 6.009 7.837 1.00 0.00 H new ATOM 48 N SER A 6 -30.382 3.357 4.615 1.00 0.00 N ATOM 49 CA SER A 6 -30.200 3.701 3.210 1.00 0.00 C ATOM 50 C SER A 6 -29.980 2.447 2.368 1.00 0.00 C ATOM 51 O SER A 6 -28.962 1.768 2.500 1.00 0.00 O ATOM 52 CB SER A 6 -29.014 4.654 3.046 1.00 0.00 C ATOM 53 OG SER A 6 -29.369 5.976 3.414 1.00 0.00 O ATOM 0 H SER A 6 -29.612 2.826 5.022 1.00 0.00 H new ATOM 0 HA SER A 6 -31.106 4.197 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.181 4.313 3.661 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.672 4.640 2.011 1.00 0.00 H new ATOM 0 HG SER A 6 -28.594 6.566 3.302 1.00 0.00 H new ATOM 59 N GLY A 7 -30.942 2.149 1.500 1.00 0.00 N ATOM 60 CA GLY A 7 -30.836 0.979 0.649 1.00 0.00 C ATOM 61 C GLY A 7 -30.346 -0.243 1.401 1.00 0.00 C ATOM 62 O GLY A 7 -29.148 -0.521 1.464 1.00 0.00 O ATOM 0 H GLY A 7 -31.793 2.697 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.810 0.764 0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.154 1.193 -0.174 1.00 0.00 H new ATOM 66 N PRO A 8 -31.286 -0.996 1.991 1.00 0.00 N ATOM 67 CA PRO A 8 -30.968 -2.206 2.755 1.00 0.00 C ATOM 68 C PRO A 8 -30.479 -3.341 1.863 1.00 0.00 C ATOM 69 O PRO A 8 -30.178 -4.435 2.343 1.00 0.00 O ATOM 70 CB PRO A 8 -32.302 -2.575 3.408 1.00 0.00 C ATOM 71 CG PRO A 8 -33.337 -1.983 2.515 1.00 0.00 C ATOM 72 CD PRO A 8 -32.733 -0.724 1.959 1.00 0.00 C ATOM 0 HA PRO A 8 -30.162 -2.038 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -32.419 -3.656 3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -32.373 -2.172 4.418 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -33.604 -2.674 1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -34.251 -1.766 3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -33.082 -0.524 0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -32.992 0.146 2.562 1.00 0.00 H new ATOM 80 N ARG A 9 -30.400 -3.076 0.563 1.00 0.00 N ATOM 81 CA ARG A 9 -29.949 -4.077 -0.396 1.00 0.00 C ATOM 82 C ARG A 9 -28.560 -3.734 -0.927 1.00 0.00 C ATOM 83 O ARG A 9 -28.422 -3.164 -2.008 1.00 0.00 O ATOM 84 CB ARG A 9 -30.938 -4.185 -1.557 1.00 0.00 C ATOM 85 CG ARG A 9 -30.653 -5.347 -2.495 1.00 0.00 C ATOM 86 CD ARG A 9 -31.144 -6.664 -1.914 1.00 0.00 C ATOM 87 NE ARG A 9 -32.534 -6.935 -2.271 1.00 0.00 N ATOM 88 CZ ARG A 9 -32.905 -7.469 -3.429 1.00 0.00 C ATOM 89 NH1 ARG A 9 -31.994 -7.791 -4.337 1.00 0.00 N ATOM 90 NH2 ARG A 9 -34.190 -7.685 -3.680 1.00 0.00 N ATOM 0 H ARG A 9 -30.643 -2.176 0.150 1.00 0.00 H new ATOM 0 HA ARG A 9 -29.896 -5.037 0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -31.946 -4.292 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -30.919 -3.256 -2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -31.137 -5.168 -3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -29.581 -5.409 -2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -30.512 -7.477 -2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -31.046 -6.640 -0.829 1.00 0.00 H new ATOM 0 HE ARG A 9 -33.260 -6.701 -1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -31.005 -7.629 -4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -32.282 -8.201 -5.225 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -34.894 -7.441 -2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -34.474 -8.095 -4.570 1.00 0.00 H new ATOM 104 N GLU A 10 -27.534 -4.083 -0.157 1.00 0.00 N ATOM 105 CA GLU A 10 -26.157 -3.809 -0.550 1.00 0.00 C ATOM 106 C GLU A 10 -25.233 -4.946 -0.121 1.00 0.00 C ATOM 107 O GLU A 10 -25.174 -5.325 1.049 1.00 0.00 O ATOM 108 CB GLU A 10 -25.680 -2.491 0.064 1.00 0.00 C ATOM 109 CG GLU A 10 -26.054 -2.331 1.528 1.00 0.00 C ATOM 110 CD GLU A 10 -25.337 -1.171 2.189 1.00 0.00 C ATOM 111 OE1 GLU A 10 -24.182 -1.358 2.626 1.00 0.00 O ATOM 112 OE2 GLU A 10 -25.931 -0.075 2.269 1.00 0.00 O ATOM 0 H GLU A 10 -27.630 -4.556 0.742 1.00 0.00 H new ATOM 0 HA GLU A 10 -26.126 -3.727 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -24.596 -2.425 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -26.103 -1.662 -0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -27.131 -2.182 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.818 -3.251 2.062 1.00 0.00 H new ATOM 119 N PRO A 11 -24.494 -5.505 -1.091 1.00 0.00 N ATOM 120 CA PRO A 11 -23.559 -6.606 -0.839 1.00 0.00 C ATOM 121 C PRO A 11 -22.343 -6.162 -0.034 1.00 0.00 C ATOM 122 O PRO A 11 -22.243 -5.003 0.369 1.00 0.00 O ATOM 123 CB PRO A 11 -23.139 -7.041 -2.246 1.00 0.00 C ATOM 124 CG PRO A 11 -23.334 -5.832 -3.092 1.00 0.00 C ATOM 125 CD PRO A 11 -24.513 -5.103 -2.508 1.00 0.00 C ATOM 0 HA PRO A 11 -24.015 -7.401 -0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -22.101 -7.373 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.746 -7.874 -2.600 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -22.444 -5.203 -3.085 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -23.521 -6.108 -4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -24.414 -4.023 -2.621 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -25.445 -5.390 -2.995 1.00 0.00 H new ATOM 133 N VAL A 12 -21.422 -7.091 0.198 1.00 0.00 N ATOM 134 CA VAL A 12 -20.212 -6.795 0.957 1.00 0.00 C ATOM 135 C VAL A 12 -19.024 -7.592 0.428 1.00 0.00 C ATOM 136 O VAL A 12 -19.145 -8.779 0.125 1.00 0.00 O ATOM 137 CB VAL A 12 -20.397 -7.102 2.454 1.00 0.00 C ATOM 138 CG1 VAL A 12 -19.109 -6.836 3.217 1.00 0.00 C ATOM 139 CG2 VAL A 12 -21.545 -6.284 3.026 1.00 0.00 C ATOM 0 H VAL A 12 -21.490 -8.055 -0.128 1.00 0.00 H new ATOM 0 HA VAL A 12 -20.015 -5.730 0.836 1.00 0.00 H new ATOM 0 HB VAL A 12 -20.643 -8.158 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.259 -7.059 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -18.315 -7.469 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.828 -5.789 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -21.662 -6.513 4.085 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -21.330 -5.222 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -22.466 -6.530 2.497 1.00 0.00 H new ATOM 149 N VAL A 13 -17.876 -6.931 0.322 1.00 0.00 N ATOM 150 CA VAL A 13 -16.664 -7.579 -0.168 1.00 0.00 C ATOM 151 C VAL A 13 -15.424 -7.010 0.512 1.00 0.00 C ATOM 152 O VAL A 13 -15.343 -5.811 0.774 1.00 0.00 O ATOM 153 CB VAL A 13 -16.519 -7.418 -1.693 1.00 0.00 C ATOM 154 CG1 VAL A 13 -17.528 -8.294 -2.421 1.00 0.00 C ATOM 155 CG2 VAL A 13 -16.682 -5.959 -2.093 1.00 0.00 C ATOM 0 H VAL A 13 -17.759 -5.948 0.568 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.752 -8.639 0.071 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.518 -7.741 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -17.411 -8.167 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -17.359 -9.338 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -18.538 -8.005 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.576 -5.864 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.669 -5.607 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.917 -5.359 -1.600 1.00 0.00 H new ATOM 165 N ASN A 14 -14.459 -7.880 0.795 1.00 0.00 N ATOM 166 CA ASN A 14 -13.222 -7.464 1.445 1.00 0.00 C ATOM 167 C ASN A 14 -12.035 -8.266 0.918 1.00 0.00 C ATOM 168 O ASN A 14 -12.100 -9.490 0.807 1.00 0.00 O ATOM 169 CB ASN A 14 -13.335 -7.636 2.961 1.00 0.00 C ATOM 170 CG ASN A 14 -13.521 -9.086 3.366 1.00 0.00 C ATOM 171 OD1 ASN A 14 -14.628 -9.682 2.941 1.00 0.00 O flip ATOM 172 ND2 ASN A 14 -12.678 -9.663 4.053 1.00 0.00 N flip ATOM 0 H ASN A 14 -14.510 -8.877 0.584 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.057 -6.411 1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.437 -7.241 3.437 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -14.176 -7.048 3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.841 -9.166 4.358 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.816 -10.638 4.317 1.00 0.00 H new ATOM 179 N ASP A 15 -10.953 -7.566 0.595 1.00 0.00 N ATOM 180 CA ASP A 15 -9.751 -8.212 0.081 1.00 0.00 C ATOM 181 C ASP A 15 -8.517 -7.760 0.858 1.00 0.00 C ATOM 182 O ASP A 15 -7.776 -8.582 1.395 1.00 0.00 O ATOM 183 CB ASP A 15 -9.574 -7.899 -1.405 1.00 0.00 C ATOM 184 CG ASP A 15 -10.294 -8.894 -2.294 1.00 0.00 C ATOM 185 OD1 ASP A 15 -11.387 -9.356 -1.905 1.00 0.00 O ATOM 186 OD2 ASP A 15 -9.765 -9.213 -3.380 1.00 0.00 O ATOM 0 H ASP A 15 -10.884 -6.552 0.680 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.865 -9.289 0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.948 -6.896 -1.609 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.512 -7.899 -1.650 1.00 0.00 H new ATOM 191 N GLU A 16 -8.305 -6.448 0.911 1.00 0.00 N ATOM 192 CA GLU A 16 -7.161 -5.889 1.621 1.00 0.00 C ATOM 193 C GLU A 16 -7.595 -4.753 2.544 1.00 0.00 C ATOM 194 O GLU A 16 -7.842 -3.635 2.094 1.00 0.00 O ATOM 195 CB GLU A 16 -6.115 -5.382 0.627 1.00 0.00 C ATOM 196 CG GLU A 16 -5.423 -6.491 -0.148 1.00 0.00 C ATOM 197 CD GLU A 16 -4.460 -5.961 -1.192 1.00 0.00 C ATOM 198 OE1 GLU A 16 -4.928 -5.539 -2.270 1.00 0.00 O ATOM 199 OE2 GLU A 16 -3.239 -5.968 -0.932 1.00 0.00 O ATOM 0 H GLU A 16 -8.910 -5.754 0.471 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.721 -6.680 2.229 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.595 -4.703 -0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.364 -4.804 1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.882 -7.132 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.175 -7.112 -0.635 1.00 0.00 H new ATOM 206 N MET A 17 -7.685 -5.051 3.836 1.00 0.00 N ATOM 207 CA MET A 17 -8.088 -4.054 4.822 1.00 0.00 C ATOM 208 C MET A 17 -6.900 -3.622 5.675 1.00 0.00 C ATOM 209 O MET A 17 -6.246 -4.448 6.312 1.00 0.00 O ATOM 210 CB MET A 17 -9.198 -4.611 5.716 1.00 0.00 C ATOM 211 CG MET A 17 -10.334 -5.259 4.944 1.00 0.00 C ATOM 212 SD MET A 17 -11.589 -4.071 4.429 1.00 0.00 S ATOM 213 CE MET A 17 -10.916 -3.524 2.862 1.00 0.00 C ATOM 0 H MET A 17 -7.485 -5.973 4.224 1.00 0.00 H new ATOM 0 HA MET A 17 -8.465 -3.182 4.288 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.769 -5.345 6.399 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.600 -3.803 6.328 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.931 -5.760 4.064 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.798 -6.026 5.564 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.715 -3.111 2.247 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.161 -2.758 3.038 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.462 -4.370 2.346 1.00 0.00 H new ATOM 223 N CYS A 18 -6.625 -2.321 5.682 1.00 0.00 N ATOM 224 CA CYS A 18 -5.516 -1.778 6.456 1.00 0.00 C ATOM 225 C CYS A 18 -5.497 -2.363 7.865 1.00 0.00 C ATOM 226 O CYS A 18 -6.546 -2.659 8.439 1.00 0.00 O ATOM 227 CB CYS A 18 -5.613 -0.253 6.525 1.00 0.00 C ATOM 228 SG CYS A 18 -4.182 0.548 7.318 1.00 0.00 S ATOM 0 H CYS A 18 -7.156 -1.624 5.160 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.588 -2.054 5.956 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.721 0.140 5.514 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.516 0.019 7.071 1.00 0.00 H new ATOM 233 N ASP A 19 -4.299 -2.525 8.416 1.00 0.00 N ATOM 234 CA ASP A 19 -4.144 -3.072 9.759 1.00 0.00 C ATOM 235 C ASP A 19 -4.404 -2.003 10.816 1.00 0.00 C ATOM 236 O ASP A 19 -4.334 -2.270 12.015 1.00 0.00 O ATOM 237 CB ASP A 19 -2.740 -3.652 9.937 1.00 0.00 C ATOM 238 CG ASP A 19 -2.664 -4.641 11.084 1.00 0.00 C ATOM 239 OD1 ASP A 19 -2.728 -4.202 12.252 1.00 0.00 O ATOM 240 OD2 ASP A 19 -2.540 -5.854 10.814 1.00 0.00 O ATOM 0 H ASP A 19 -3.422 -2.286 7.954 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.877 -3.868 9.887 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.434 -4.146 9.015 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.034 -2.840 10.113 1.00 0.00 H new ATOM 245 N VAL A 20 -4.704 -0.790 10.361 1.00 0.00 N ATOM 246 CA VAL A 20 -4.974 0.320 11.267 1.00 0.00 C ATOM 247 C VAL A 20 -6.302 0.990 10.933 1.00 0.00 C ATOM 248 O VAL A 20 -6.902 1.657 11.777 1.00 0.00 O ATOM 249 CB VAL A 20 -3.852 1.374 11.213 1.00 0.00 C ATOM 250 CG1 VAL A 20 -4.169 2.538 12.139 1.00 0.00 C ATOM 251 CG2 VAL A 20 -2.514 0.746 11.571 1.00 0.00 C ATOM 0 H VAL A 20 -4.766 -0.552 9.371 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.023 -0.096 12.273 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.786 1.758 10.195 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.366 3.273 12.088 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.106 3.003 11.832 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.263 2.174 13.162 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.733 1.505 11.528 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.564 0.333 12.579 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.285 -0.051 10.863 1.00 0.00 H new ATOM 261 N CYS A 21 -6.757 0.808 9.699 1.00 0.00 N ATOM 262 CA CYS A 21 -8.014 1.394 9.252 1.00 0.00 C ATOM 263 C CYS A 21 -8.977 0.313 8.769 1.00 0.00 C ATOM 264 O CYS A 21 -10.191 0.514 8.750 1.00 0.00 O ATOM 265 CB CYS A 21 -7.761 2.405 8.131 1.00 0.00 C ATOM 266 SG CYS A 21 -6.463 3.625 8.511 1.00 0.00 S ATOM 0 H CYS A 21 -6.273 0.258 8.989 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.467 1.908 10.100 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.484 1.866 7.225 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.690 2.933 7.916 1.00 0.00 H new ATOM 271 N GLU A 22 -8.426 -0.832 8.379 1.00 0.00 N ATOM 272 CA GLU A 22 -9.236 -1.943 7.896 1.00 0.00 C ATOM 273 C GLU A 22 -10.058 -1.529 6.679 1.00 0.00 C ATOM 274 O GLU A 22 -11.203 -1.950 6.517 1.00 0.00 O ATOM 275 CB GLU A 22 -10.164 -2.447 9.003 1.00 0.00 C ATOM 276 CG GLU A 22 -9.425 -2.969 10.225 1.00 0.00 C ATOM 277 CD GLU A 22 -10.326 -3.103 11.438 1.00 0.00 C ATOM 278 OE1 GLU A 22 -11.447 -3.635 11.289 1.00 0.00 O ATOM 279 OE2 GLU A 22 -9.911 -2.676 12.536 1.00 0.00 O ATOM 0 H GLU A 22 -7.422 -1.014 8.388 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.562 -2.748 7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.826 -1.637 9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.795 -3.241 8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.987 -3.940 9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.601 -2.296 10.462 1.00 0.00 H new ATOM 286 N VAL A 23 -9.465 -0.700 5.826 1.00 0.00 N ATOM 287 CA VAL A 23 -10.140 -0.228 4.623 1.00 0.00 C ATOM 288 C VAL A 23 -9.190 -0.211 3.431 1.00 0.00 C ATOM 289 O VAL A 23 -7.976 -0.089 3.593 1.00 0.00 O ATOM 290 CB VAL A 23 -10.721 1.185 4.823 1.00 0.00 C ATOM 291 CG1 VAL A 23 -11.368 1.683 3.540 1.00 0.00 C ATOM 292 CG2 VAL A 23 -11.719 1.191 5.971 1.00 0.00 C ATOM 0 H VAL A 23 -8.518 -0.341 5.946 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.956 -0.923 4.424 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.906 1.863 5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.773 2.682 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.622 1.717 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.174 1.007 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.120 2.196 6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.533 0.501 5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -11.220 0.880 6.889 1.00 0.00 H new ATOM 302 N TRP A 24 -9.751 -0.333 2.233 1.00 0.00 N ATOM 303 CA TRP A 24 -8.955 -0.331 1.012 1.00 0.00 C ATOM 304 C TRP A 24 -9.342 0.837 0.110 1.00 0.00 C ATOM 305 O TRP A 24 -10.198 1.649 0.463 1.00 0.00 O ATOM 306 CB TRP A 24 -9.131 -1.651 0.260 1.00 0.00 C ATOM 307 CG TRP A 24 -10.280 -1.637 -0.702 1.00 0.00 C ATOM 308 CD1 TRP A 24 -11.603 -1.796 -0.402 1.00 0.00 C ATOM 309 CD2 TRP A 24 -10.208 -1.458 -2.121 1.00 0.00 C ATOM 310 NE1 TRP A 24 -12.357 -1.725 -1.549 1.00 0.00 N ATOM 311 CE2 TRP A 24 -11.525 -1.517 -2.616 1.00 0.00 C ATOM 312 CE3 TRP A 24 -9.159 -1.249 -3.020 1.00 0.00 C ATOM 313 CZ2 TRP A 24 -11.818 -1.378 -3.970 1.00 0.00 C ATOM 314 CZ3 TRP A 24 -9.451 -1.111 -4.363 1.00 0.00 C ATOM 315 CH2 TRP A 24 -10.771 -1.175 -4.829 1.00 0.00 C ATOM 0 H TRP A 24 -10.755 -0.435 2.082 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.908 -0.218 1.293 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -8.214 -1.876 -0.284 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.280 -2.455 0.981 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.998 -1.954 0.590 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -13.372 -1.813 -1.597 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.138 -1.196 -2.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -12.835 -1.428 -4.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.647 -0.951 -5.067 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.966 -1.062 -5.885 1.00 0.00 H new ATOM 326 N THR A 25 -8.706 0.917 -1.054 1.00 0.00 N ATOM 327 CA THR A 25 -8.984 1.985 -2.005 1.00 0.00 C ATOM 328 C THR A 25 -8.672 1.547 -3.431 1.00 0.00 C ATOM 329 O THR A 25 -7.746 0.770 -3.664 1.00 0.00 O ATOM 330 CB THR A 25 -8.170 3.253 -1.680 1.00 0.00 C ATOM 331 OG1 THR A 25 -6.817 2.900 -1.370 1.00 0.00 O ATOM 332 CG2 THR A 25 -8.785 4.003 -0.508 1.00 0.00 C ATOM 0 H THR A 25 -7.994 0.254 -1.361 1.00 0.00 H new ATOM 0 HA THR A 25 -10.047 2.213 -1.922 1.00 0.00 H new ATOM 0 HB THR A 25 -8.184 3.903 -2.555 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.306 3.711 -1.166 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.194 4.894 -0.296 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.805 4.295 -0.758 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.797 3.358 0.371 1.00 0.00 H new ATOM 340 N ALA A 26 -9.449 2.052 -4.384 1.00 0.00 N ATOM 341 CA ALA A 26 -9.253 1.714 -5.789 1.00 0.00 C ATOM 342 C ALA A 26 -7.809 1.956 -6.215 1.00 0.00 C ATOM 343 O ALA A 26 -7.222 1.150 -6.937 1.00 0.00 O ATOM 344 CB ALA A 26 -10.205 2.517 -6.662 1.00 0.00 C ATOM 0 H ALA A 26 -10.220 2.697 -4.209 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.469 0.653 -5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.048 2.255 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.234 2.291 -6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.016 3.581 -6.522 1.00 0.00 H new ATOM 350 N GLU A 27 -7.242 3.071 -5.764 1.00 0.00 N ATOM 351 CA GLU A 27 -5.867 3.419 -6.101 1.00 0.00 C ATOM 352 C GLU A 27 -4.883 2.487 -5.400 1.00 0.00 C ATOM 353 O GLU A 27 -5.278 1.632 -4.607 1.00 0.00 O ATOM 354 CB GLU A 27 -5.575 4.870 -5.716 1.00 0.00 C ATOM 355 CG GLU A 27 -6.333 5.887 -6.553 1.00 0.00 C ATOM 356 CD GLU A 27 -7.740 6.131 -6.042 1.00 0.00 C ATOM 357 OE1 GLU A 27 -7.937 6.098 -4.809 1.00 0.00 O ATOM 358 OE2 GLU A 27 -8.642 6.356 -6.876 1.00 0.00 O ATOM 0 H GLU A 27 -7.714 3.748 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.744 3.306 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.827 5.016 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.505 5.055 -5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.784 6.829 -6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.380 5.540 -7.585 1.00 0.00 H new ATOM 365 N SER A 28 -3.599 2.658 -5.699 1.00 0.00 N ATOM 366 CA SER A 28 -2.558 1.830 -5.102 1.00 0.00 C ATOM 367 C SER A 28 -2.565 1.962 -3.581 1.00 0.00 C ATOM 368 O SER A 28 -2.565 3.068 -3.042 1.00 0.00 O ATOM 369 CB SER A 28 -1.186 2.224 -5.652 1.00 0.00 C ATOM 370 OG SER A 28 -0.733 3.437 -5.076 1.00 0.00 O ATOM 0 H SER A 28 -3.255 3.363 -6.351 1.00 0.00 H new ATOM 0 HA SER A 28 -2.761 0.791 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.467 1.430 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.242 2.331 -6.735 1.00 0.00 H new ATOM 0 HG SER A 28 -0.621 4.111 -5.779 1.00 0.00 H new ATOM 376 N LEU A 29 -2.571 0.824 -2.896 1.00 0.00 N ATOM 377 CA LEU A 29 -2.578 0.809 -1.437 1.00 0.00 C ATOM 378 C LEU A 29 -1.174 0.582 -0.888 1.00 0.00 C ATOM 379 O LEU A 29 -0.487 -0.362 -1.282 1.00 0.00 O ATOM 380 CB LEU A 29 -3.522 -0.279 -0.923 1.00 0.00 C ATOM 381 CG LEU A 29 -4.092 -0.067 0.480 1.00 0.00 C ATOM 382 CD1 LEU A 29 -5.195 -1.073 0.767 1.00 0.00 C ATOM 383 CD2 LEU A 29 -2.989 -0.168 1.524 1.00 0.00 C ATOM 0 H LEU A 29 -2.571 -0.100 -3.327 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.931 1.780 -1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.354 -0.369 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.989 -1.230 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.521 0.934 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.588 -0.906 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.997 -0.952 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.792 -2.084 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.412 -0.015 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.530 -1.155 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.234 0.594 1.330 1.00 0.00 H new ATOM 395 N PHE A 30 -0.753 1.449 0.026 1.00 0.00 N ATOM 396 CA PHE A 30 0.569 1.342 0.631 1.00 0.00 C ATOM 397 C PHE A 30 0.564 0.330 1.773 1.00 0.00 C ATOM 398 O PHE A 30 -0.458 0.083 2.413 1.00 0.00 O ATOM 399 CB PHE A 30 1.029 2.708 1.147 1.00 0.00 C ATOM 400 CG PHE A 30 0.590 3.854 0.282 1.00 0.00 C ATOM 401 CD1 PHE A 30 0.792 3.823 -1.088 1.00 0.00 C ATOM 402 CD2 PHE A 30 -0.025 4.963 0.840 1.00 0.00 C ATOM 403 CE1 PHE A 30 0.387 4.877 -1.887 1.00 0.00 C ATOM 404 CE2 PHE A 30 -0.432 6.019 0.046 1.00 0.00 C ATOM 405 CZ PHE A 30 -0.223 5.976 -1.318 1.00 0.00 C ATOM 0 H PHE A 30 -1.309 2.234 0.364 1.00 0.00 H new ATOM 0 HA PHE A 30 1.265 0.997 -0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.643 2.856 2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.117 2.713 1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.271 2.966 -1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.188 5.003 1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.548 4.840 -2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.913 6.877 0.492 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.537 6.802 -1.939 1.00 0.00 H new ATOM 415 N PRO A 31 1.734 -0.271 2.035 1.00 0.00 N ATOM 416 CA PRO A 31 2.957 0.014 1.279 1.00 0.00 C ATOM 417 C PRO A 31 2.893 -0.516 -0.149 1.00 0.00 C ATOM 418 O PRO A 31 3.149 0.217 -1.106 1.00 0.00 O ATOM 419 CB PRO A 31 4.044 -0.718 2.072 1.00 0.00 C ATOM 420 CG PRO A 31 3.323 -1.814 2.778 1.00 0.00 C ATOM 421 CD PRO A 31 1.953 -1.277 3.088 1.00 0.00 C ATOM 0 HA PRO A 31 3.132 1.085 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.817 -1.113 1.413 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.537 -0.050 2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.261 -2.705 2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.846 -2.100 3.691 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.197 -2.062 3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.911 -0.833 4.083 1.00 0.00 H new ATOM 429 N CYS A 32 2.549 -1.792 -0.288 1.00 0.00 N ATOM 430 CA CYS A 32 2.451 -2.420 -1.600 1.00 0.00 C ATOM 431 C CYS A 32 1.183 -3.263 -1.705 1.00 0.00 C ATOM 432 O CYS A 32 0.354 -3.272 -0.796 1.00 0.00 O ATOM 433 CB CYS A 32 3.680 -3.291 -1.865 1.00 0.00 C ATOM 434 SG CYS A 32 3.616 -4.928 -1.069 1.00 0.00 S ATOM 0 H CYS A 32 2.333 -2.412 0.493 1.00 0.00 H new ATOM 0 HA CYS A 32 2.405 -1.631 -2.351 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.791 -3.426 -2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.568 -2.764 -1.516 1.00 0.00 H new ATOM 439 N ARG A 33 1.041 -3.970 -2.822 1.00 0.00 N ATOM 440 CA ARG A 33 -0.125 -4.816 -3.047 1.00 0.00 C ATOM 441 C ARG A 33 0.242 -6.292 -2.921 1.00 0.00 C ATOM 442 O ARG A 33 -0.363 -7.028 -2.141 1.00 0.00 O ATOM 443 CB ARG A 33 -0.720 -4.544 -4.430 1.00 0.00 C ATOM 444 CG ARG A 33 -1.738 -5.583 -4.871 1.00 0.00 C ATOM 445 CD ARG A 33 -2.939 -5.615 -3.939 1.00 0.00 C ATOM 446 NE ARG A 33 -3.994 -4.704 -4.374 1.00 0.00 N ATOM 447 CZ ARG A 33 -4.904 -5.015 -5.290 1.00 0.00 C ATOM 448 NH1 ARG A 33 -4.888 -6.211 -5.863 1.00 0.00 N ATOM 449 NH2 ARG A 33 -5.832 -4.131 -5.633 1.00 0.00 N ATOM 0 H ARG A 33 1.718 -3.974 -3.584 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.868 -4.577 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.194 -3.563 -4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.087 -4.505 -5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.069 -5.362 -5.886 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.269 -6.566 -4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.334 -6.630 -3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.623 -5.348 -2.931 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.034 -3.777 -3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.176 -6.893 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.587 -6.449 -6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.847 -3.211 -5.193 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.530 -4.371 -6.337 1.00 0.00 H new ATOM 463 N VAL A 34 1.236 -6.717 -3.693 1.00 0.00 N ATOM 464 CA VAL A 34 1.684 -8.105 -3.668 1.00 0.00 C ATOM 465 C VAL A 34 1.597 -8.685 -2.261 1.00 0.00 C ATOM 466 O VAL A 34 1.210 -9.839 -2.076 1.00 0.00 O ATOM 467 CB VAL A 34 3.132 -8.236 -4.177 1.00 0.00 C ATOM 468 CG1 VAL A 34 3.198 -7.976 -5.674 1.00 0.00 C ATOM 469 CG2 VAL A 34 4.050 -7.287 -3.422 1.00 0.00 C ATOM 0 H VAL A 34 1.747 -6.121 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 34 1.022 -8.664 -4.330 1.00 0.00 H new ATOM 0 HB VAL A 34 3.472 -9.256 -3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.229 -8.073 -6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.573 -8.700 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.840 -6.968 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.069 -7.393 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.714 -6.261 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.026 -7.526 -2.359 1.00 0.00 H new ATOM 479 N CYS A 35 1.959 -7.877 -1.271 1.00 0.00 N ATOM 480 CA CYS A 35 1.923 -8.309 0.122 1.00 0.00 C ATOM 481 C CYS A 35 0.499 -8.259 0.669 1.00 0.00 C ATOM 482 O CYS A 35 -0.062 -7.182 0.875 1.00 0.00 O ATOM 483 CB CYS A 35 2.839 -7.429 0.974 1.00 0.00 C ATOM 484 SG CYS A 35 4.613 -7.640 0.617 1.00 0.00 S ATOM 0 H CYS A 35 2.281 -6.919 -1.407 1.00 0.00 H new ATOM 0 HA CYS A 35 2.276 -9.339 0.167 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.570 -6.384 0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.662 -7.650 2.027 1.00 0.00 H new ATOM 489 N THR A 36 -0.081 -9.433 0.903 1.00 0.00 N ATOM 490 CA THR A 36 -1.438 -9.525 1.425 1.00 0.00 C ATOM 491 C THR A 36 -1.678 -8.489 2.517 1.00 0.00 C ATOM 492 O THR A 36 -2.707 -7.814 2.531 1.00 0.00 O ATOM 493 CB THR A 36 -1.729 -10.927 1.991 1.00 0.00 C ATOM 494 OG1 THR A 36 -1.662 -11.901 0.943 1.00 0.00 O ATOM 495 CG2 THR A 36 -3.102 -10.972 2.645 1.00 0.00 C ATOM 0 H THR A 36 0.369 -10.333 0.739 1.00 0.00 H new ATOM 0 HA THR A 36 -2.111 -9.332 0.590 1.00 0.00 H new ATOM 0 HB THR A 36 -0.977 -11.154 2.746 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.846 -12.790 1.311 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.285 -11.972 3.037 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.141 -10.250 3.460 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.865 -10.727 1.906 1.00 0.00 H new ATOM 503 N ARG A 37 -0.721 -8.368 3.432 1.00 0.00 N ATOM 504 CA ARG A 37 -0.830 -7.413 4.529 1.00 0.00 C ATOM 505 C ARG A 37 -0.669 -5.983 4.024 1.00 0.00 C ATOM 506 O ARG A 37 0.435 -5.554 3.682 1.00 0.00 O ATOM 507 CB ARG A 37 0.225 -7.710 5.597 1.00 0.00 C ATOM 508 CG ARG A 37 0.025 -6.927 6.884 1.00 0.00 C ATOM 509 CD ARG A 37 1.074 -7.291 7.925 1.00 0.00 C ATOM 510 NE ARG A 37 0.790 -8.572 8.564 1.00 0.00 N ATOM 511 CZ ARG A 37 1.243 -8.911 9.766 1.00 0.00 C ATOM 512 NH1 ARG A 37 1.996 -8.066 10.457 1.00 0.00 N ATOM 513 NH2 ARG A 37 0.941 -10.096 10.280 1.00 0.00 N ATOM 0 H ARG A 37 0.138 -8.919 3.435 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.822 -7.514 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.210 -8.776 5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.212 -7.484 5.194 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.075 -5.859 6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.970 -7.127 7.282 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.055 -7.332 7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.118 -6.510 8.684 1.00 0.00 H new ATOM 0 HE ARG A 37 0.212 -9.244 8.060 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.229 -7.153 10.066 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.342 -8.329 11.380 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.361 -10.748 9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.289 -10.355 11.203 1.00 0.00 H new ATOM 527 N VAL A 38 -1.776 -5.248 3.978 1.00 0.00 N ATOM 528 CA VAL A 38 -1.758 -3.867 3.515 1.00 0.00 C ATOM 529 C VAL A 38 -1.893 -2.894 4.682 1.00 0.00 C ATOM 530 O VAL A 38 -2.719 -3.090 5.574 1.00 0.00 O ATOM 531 CB VAL A 38 -2.888 -3.598 2.504 1.00 0.00 C ATOM 532 CG1 VAL A 38 -2.660 -4.392 1.225 1.00 0.00 C ATOM 533 CG2 VAL A 38 -4.240 -3.934 3.116 1.00 0.00 C ATOM 0 H VAL A 38 -2.697 -5.587 4.256 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.797 -3.711 3.024 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.882 -2.538 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.468 -4.190 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.709 -4.099 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.639 -5.457 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.028 -3.738 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.260 -4.987 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.402 -3.318 4.001 1.00 0.00 H new ATOM 543 N PHE A 39 -1.077 -1.845 4.668 1.00 0.00 N ATOM 544 CA PHE A 39 -1.105 -0.842 5.726 1.00 0.00 C ATOM 545 C PHE A 39 -0.663 0.519 5.195 1.00 0.00 C ATOM 546 O PHE A 39 0.437 0.662 4.661 1.00 0.00 O ATOM 547 CB PHE A 39 -0.203 -1.267 6.886 1.00 0.00 C ATOM 548 CG PHE A 39 1.003 -2.049 6.451 1.00 0.00 C ATOM 549 CD1 PHE A 39 0.893 -3.388 6.112 1.00 0.00 C ATOM 550 CD2 PHE A 39 2.249 -1.445 6.382 1.00 0.00 C ATOM 551 CE1 PHE A 39 2.001 -4.110 5.711 1.00 0.00 C ATOM 552 CE2 PHE A 39 3.361 -2.161 5.982 1.00 0.00 C ATOM 553 CZ PHE A 39 3.237 -3.496 5.648 1.00 0.00 C ATOM 0 H PHE A 39 -0.389 -1.668 3.936 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.130 -0.758 6.086 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.125 -0.378 7.425 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.783 -1.868 7.586 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.070 -3.873 6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.352 -0.402 6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.901 -5.153 5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.326 -1.678 5.930 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.105 -4.059 5.338 1.00 0.00 H new ATOM 563 N HIS A 40 -1.530 1.516 5.346 1.00 0.00 N ATOM 564 CA HIS A 40 -1.230 2.866 4.883 1.00 0.00 C ATOM 565 C HIS A 40 0.041 3.396 5.539 1.00 0.00 C ATOM 566 O HIS A 40 0.289 3.154 6.721 1.00 0.00 O ATOM 567 CB HIS A 40 -2.401 3.803 5.183 1.00 0.00 C ATOM 568 CG HIS A 40 -3.718 3.295 4.682 1.00 0.00 C ATOM 569 ND1 HIS A 40 -4.923 3.630 5.260 1.00 0.00 N ATOM 570 CD2 HIS A 40 -4.014 2.473 3.648 1.00 0.00 C ATOM 571 CE1 HIS A 40 -5.904 3.035 4.606 1.00 0.00 C ATOM 572 NE2 HIS A 40 -5.378 2.327 3.622 1.00 0.00 N ATOM 0 H HIS A 40 -2.445 1.414 5.785 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.072 2.827 3.805 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.466 3.957 6.260 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.201 4.776 4.734 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.308 2.017 2.970 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -6.956 3.114 4.836 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -5.901 1.763 2.952 1.00 0.00 H new ATOM 580 N ASP A 41 0.845 4.119 4.766 1.00 0.00 N ATOM 581 CA ASP A 41 2.090 4.683 5.272 1.00 0.00 C ATOM 582 C ASP A 41 1.824 5.627 6.441 1.00 0.00 C ATOM 583 O ASP A 41 2.445 5.514 7.497 1.00 0.00 O ATOM 584 CB ASP A 41 2.828 5.426 4.157 1.00 0.00 C ATOM 585 CG ASP A 41 3.784 4.528 3.397 1.00 0.00 C ATOM 586 OD1 ASP A 41 4.617 3.863 4.046 1.00 0.00 O ATOM 587 OD2 ASP A 41 3.697 4.490 2.151 1.00 0.00 O ATOM 0 H ASP A 41 0.656 4.328 3.786 1.00 0.00 H new ATOM 0 HA ASP A 41 2.714 3.863 5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.101 5.848 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.382 6.261 4.586 1.00 0.00 H new ATOM 592 N GLY A 42 0.896 6.558 6.243 1.00 0.00 N ATOM 593 CA GLY A 42 0.565 7.509 7.289 1.00 0.00 C ATOM 594 C GLY A 42 0.152 6.830 8.580 1.00 0.00 C ATOM 595 O GLY A 42 0.221 7.428 9.654 1.00 0.00 O ATOM 0 H GLY A 42 0.368 6.671 5.378 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.426 8.150 7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.244 8.154 6.946 1.00 0.00 H new ATOM 599 N CYS A 43 -0.278 5.577 8.476 1.00 0.00 N ATOM 600 CA CYS A 43 -0.707 4.816 9.644 1.00 0.00 C ATOM 601 C CYS A 43 0.497 4.283 10.416 1.00 0.00 C ATOM 602 O CYS A 43 0.497 4.257 11.648 1.00 0.00 O ATOM 603 CB CYS A 43 -1.609 3.656 9.221 1.00 0.00 C ATOM 604 SG CYS A 43 -3.337 4.138 8.902 1.00 0.00 S ATOM 0 H CYS A 43 -0.339 5.067 7.595 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.269 5.484 10.296 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.198 3.199 8.321 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.593 2.894 10.000 1.00 0.00 H new ATOM 609 N LEU A 44 1.521 3.859 9.685 1.00 0.00 N ATOM 610 CA LEU A 44 2.732 3.326 10.300 1.00 0.00 C ATOM 611 C LEU A 44 3.500 4.423 11.030 1.00 0.00 C ATOM 612 O LEU A 44 3.968 4.225 12.152 1.00 0.00 O ATOM 613 CB LEU A 44 3.626 2.682 9.238 1.00 0.00 C ATOM 614 CG LEU A 44 2.962 1.628 8.351 1.00 0.00 C ATOM 615 CD1 LEU A 44 3.617 1.599 6.978 1.00 0.00 C ATOM 616 CD2 LEU A 44 3.032 0.257 9.007 1.00 0.00 C ATOM 0 H LEU A 44 1.538 3.874 8.665 1.00 0.00 H new ATOM 0 HA LEU A 44 2.438 2.569 11.027 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.021 3.471 8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.478 2.222 9.739 1.00 0.00 H new ATOM 0 HG LEU A 44 1.912 1.894 8.226 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.132 0.843 6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.514 2.576 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.674 1.357 7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.555 -0.480 8.361 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.075 -0.019 9.163 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.517 0.286 9.967 1.00 0.00 H new ATOM 628 N ARG A 45 3.622 5.580 10.389 1.00 0.00 N ATOM 629 CA ARG A 45 4.332 6.709 10.979 1.00 0.00 C ATOM 630 C ARG A 45 3.586 7.244 12.198 1.00 0.00 C ATOM 631 O ARG A 45 4.200 7.676 13.173 1.00 0.00 O ATOM 632 CB ARG A 45 4.508 7.824 9.946 1.00 0.00 C ATOM 633 CG ARG A 45 3.254 8.654 9.727 1.00 0.00 C ATOM 634 CD ARG A 45 3.513 9.815 8.780 1.00 0.00 C ATOM 635 NE ARG A 45 3.664 9.371 7.397 1.00 0.00 N ATOM 636 CZ ARG A 45 3.486 10.164 6.346 1.00 0.00 C ATOM 637 NH1 ARG A 45 3.152 11.435 6.521 1.00 0.00 N ATOM 638 NH2 ARG A 45 3.640 9.686 5.119 1.00 0.00 N ATOM 0 H ARG A 45 3.239 5.761 9.461 1.00 0.00 H new ATOM 0 HA ARG A 45 5.314 6.361 11.299 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.317 8.481 10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.812 7.384 8.997 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.464 8.022 9.322 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.897 9.036 10.684 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.689 10.526 8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.414 10.343 9.092 1.00 0.00 H new ATOM 0 HE ARG A 45 3.920 8.398 7.229 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.031 11.805 7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.016 12.042 5.713 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.895 8.708 4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.503 10.296 4.313 1.00 0.00 H new ATOM 652 N ARG A 46 2.259 7.209 12.134 1.00 0.00 N ATOM 653 CA ARG A 46 1.430 7.692 13.232 1.00 0.00 C ATOM 654 C ARG A 46 1.564 6.788 14.454 1.00 0.00 C ATOM 655 O ARG A 46 1.899 7.248 15.545 1.00 0.00 O ATOM 656 CB ARG A 46 -0.035 7.766 12.797 1.00 0.00 C ATOM 657 CG ARG A 46 -0.935 8.466 13.804 1.00 0.00 C ATOM 658 CD ARG A 46 -1.241 7.570 14.995 1.00 0.00 C ATOM 659 NE ARG A 46 -2.510 7.918 15.629 1.00 0.00 N ATOM 660 CZ ARG A 46 -2.657 8.935 16.470 1.00 0.00 C ATOM 661 NH1 ARG A 46 -1.619 9.702 16.776 1.00 0.00 N ATOM 662 NH2 ARG A 46 -3.843 9.187 17.006 1.00 0.00 N ATOM 0 H ARG A 46 1.736 6.852 11.335 1.00 0.00 H new ATOM 0 HA ARG A 46 1.774 8.691 13.502 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.096 8.289 11.843 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.407 6.755 12.631 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.454 9.381 14.150 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.866 8.759 13.319 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.272 6.531 14.668 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.436 7.651 15.726 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.328 7.348 15.414 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.705 9.511 16.365 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.735 10.483 17.422 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.643 8.599 16.772 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.955 9.968 17.652 1.00 0.00 H new ATOM 676 N MET A 47 1.301 5.499 14.261 1.00 0.00 N ATOM 677 CA MET A 47 1.393 4.531 15.347 1.00 0.00 C ATOM 678 C MET A 47 2.838 4.367 15.808 1.00 0.00 C ATOM 679 O MET A 47 3.109 4.247 17.002 1.00 0.00 O ATOM 680 CB MET A 47 0.831 3.179 14.902 1.00 0.00 C ATOM 681 CG MET A 47 -0.681 3.080 15.023 1.00 0.00 C ATOM 682 SD MET A 47 -1.210 2.451 16.627 1.00 0.00 S ATOM 683 CE MET A 47 -1.039 0.686 16.373 1.00 0.00 C ATOM 0 H MET A 47 1.023 5.102 13.364 1.00 0.00 H new ATOM 0 HA MET A 47 0.803 4.904 16.184 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.117 2.999 13.866 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.288 2.390 15.500 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.120 4.065 14.861 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.062 2.428 14.238 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.330 0.158 17.281 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.681 0.373 15.549 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.002 0.452 16.134 1.00 0.00 H new ATOM 693 N GLY A 48 3.763 4.363 14.852 1.00 0.00 N ATOM 694 CA GLY A 48 5.169 4.213 15.181 1.00 0.00 C ATOM 695 C GLY A 48 5.710 2.850 14.800 1.00 0.00 C ATOM 696 O GLY A 48 6.210 2.112 15.651 1.00 0.00 O ATOM 0 H GLY A 48 3.564 4.461 13.856 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.743 4.985 14.669 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.308 4.370 16.251 1.00 0.00 H new ATOM 700 N TYR A 49 5.612 2.513 13.520 1.00 0.00 N ATOM 701 CA TYR A 49 6.093 1.226 13.029 1.00 0.00 C ATOM 702 C TYR A 49 7.351 1.402 12.184 1.00 0.00 C ATOM 703 O TYR A 49 8.129 0.464 12.007 1.00 0.00 O ATOM 704 CB TYR A 49 5.006 0.532 12.206 1.00 0.00 C ATOM 705 CG TYR A 49 3.943 -0.135 13.050 1.00 0.00 C ATOM 706 CD1 TYR A 49 4.249 -1.226 13.853 1.00 0.00 C ATOM 707 CD2 TYR A 49 2.632 0.326 13.043 1.00 0.00 C ATOM 708 CE1 TYR A 49 3.281 -1.839 14.626 1.00 0.00 C ATOM 709 CE2 TYR A 49 1.657 -0.281 13.812 1.00 0.00 C ATOM 710 CZ TYR A 49 1.987 -1.362 14.602 1.00 0.00 C ATOM 711 OH TYR A 49 1.019 -1.969 15.368 1.00 0.00 O ATOM 0 H TYR A 49 5.204 3.112 12.803 1.00 0.00 H new ATOM 0 HA TYR A 49 6.339 0.606 13.891 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.533 1.265 11.553 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.470 -0.216 11.563 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.261 -1.602 13.874 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.371 1.173 12.426 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.536 -2.686 15.245 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.643 0.089 13.794 1.00 0.00 H new ATOM 0 HH TYR A 49 0.163 -1.510 15.237 1.00 0.00 H new ATOM 721 N ILE A 50 7.544 2.610 11.664 1.00 0.00 N ATOM 722 CA ILE A 50 8.706 2.910 10.839 1.00 0.00 C ATOM 723 C ILE A 50 9.408 4.176 11.318 1.00 0.00 C ATOM 724 O ILE A 50 10.632 4.282 11.251 1.00 0.00 O ATOM 725 CB ILE A 50 8.318 3.081 9.359 1.00 0.00 C ATOM 726 CG1 ILE A 50 6.888 3.613 9.242 1.00 0.00 C ATOM 727 CG2 ILE A 50 8.460 1.760 8.618 1.00 0.00 C ATOM 728 CD1 ILE A 50 6.804 5.123 9.230 1.00 0.00 C ATOM 0 H ILE A 50 6.909 3.397 11.800 1.00 0.00 H new ATOM 0 HA ILE A 50 9.385 2.063 10.932 1.00 0.00 H new ATOM 0 HB ILE A 50 8.993 3.805 8.903 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.438 3.225 8.328 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.298 3.231 10.075 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.182 1.897 7.573 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.494 1.419 8.677 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.806 1.016 9.073 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.761 5.429 9.145 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.224 5.518 10.155 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.366 5.512 8.381 1.00 0.00 H new ATOM 740 N GLN A 51 8.625 5.134 11.802 1.00 0.00 N ATOM 741 CA GLN A 51 9.171 6.393 12.294 1.00 0.00 C ATOM 742 C GLN A 51 8.067 7.286 12.851 1.00 0.00 C ATOM 743 O GLN A 51 6.993 7.403 12.262 1.00 0.00 O ATOM 744 CB GLN A 51 9.916 7.122 11.174 1.00 0.00 C ATOM 745 CG GLN A 51 9.008 7.601 10.052 1.00 0.00 C ATOM 746 CD GLN A 51 8.527 9.024 10.260 1.00 0.00 C ATOM 747 OE1 GLN A 51 7.326 9.293 10.245 1.00 0.00 O ATOM 748 NE2 GLN A 51 9.464 9.945 10.454 1.00 0.00 N ATOM 0 H GLN A 51 7.609 5.062 11.864 1.00 0.00 H new ATOM 0 HA GLN A 51 9.870 6.166 13.099 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.442 7.979 11.596 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.673 6.456 10.759 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.543 7.537 9.104 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.147 6.937 9.978 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.448 9.678 10.459 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.199 10.919 10.598 1.00 0.00 H new ATOM 757 N GLY A 52 8.339 7.914 13.991 1.00 0.00 N ATOM 758 CA GLY A 52 7.359 8.787 14.609 1.00 0.00 C ATOM 759 C GLY A 52 6.929 9.916 13.693 1.00 0.00 C ATOM 760 O GLY A 52 7.348 9.981 12.538 1.00 0.00 O ATOM 0 H GLY A 52 9.221 7.833 14.497 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.485 8.202 14.895 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.776 9.205 15.525 1.00 0.00 H new ATOM 764 N ASP A 53 6.090 10.808 14.209 1.00 0.00 N ATOM 765 CA ASP A 53 5.603 11.939 13.429 1.00 0.00 C ATOM 766 C ASP A 53 6.576 13.111 13.505 1.00 0.00 C ATOM 767 O ASP A 53 6.173 14.254 13.723 1.00 0.00 O ATOM 768 CB ASP A 53 4.223 12.373 13.928 1.00 0.00 C ATOM 769 CG ASP A 53 3.584 13.415 13.029 1.00 0.00 C ATOM 770 OD1 ASP A 53 3.418 13.137 11.823 1.00 0.00 O ATOM 771 OD2 ASP A 53 3.250 14.507 13.533 1.00 0.00 O ATOM 0 H ASP A 53 5.733 10.769 15.164 1.00 0.00 H new ATOM 0 HA ASP A 53 5.523 11.624 12.389 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.571 11.501 13.990 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.314 12.775 14.937 1.00 0.00 H new ATOM 776 N SER A 54 7.860 12.820 13.326 1.00 0.00 N ATOM 777 CA SER A 54 8.893 13.848 13.379 1.00 0.00 C ATOM 778 C SER A 54 9.879 13.689 12.225 1.00 0.00 C ATOM 779 O SER A 54 10.849 12.939 12.324 1.00 0.00 O ATOM 780 CB SER A 54 9.638 13.784 14.714 1.00 0.00 C ATOM 781 OG SER A 54 10.220 15.036 15.034 1.00 0.00 O ATOM 0 H SER A 54 8.210 11.880 13.143 1.00 0.00 H new ATOM 0 HA SER A 54 8.408 14.820 13.288 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.949 13.487 15.505 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.414 13.021 14.665 1.00 0.00 H new ATOM 0 HG SER A 54 10.689 14.969 15.892 1.00 0.00 H new ATOM 787 N ALA A 55 9.621 14.401 11.133 1.00 0.00 N ATOM 788 CA ALA A 55 10.485 14.341 9.961 1.00 0.00 C ATOM 789 C ALA A 55 10.036 15.338 8.897 1.00 0.00 C ATOM 790 O ALA A 55 8.899 15.292 8.431 1.00 0.00 O ATOM 791 CB ALA A 55 10.504 12.931 9.391 1.00 0.00 C ATOM 0 H ALA A 55 8.821 15.026 11.036 1.00 0.00 H new ATOM 0 HA ALA A 55 11.495 14.609 10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.153 12.901 8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.879 12.239 10.145 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.493 12.641 9.103 1.00 0.00 H new ATOM 797 N ALA A 56 10.939 16.237 8.518 1.00 0.00 N ATOM 798 CA ALA A 56 10.636 17.243 7.508 1.00 0.00 C ATOM 799 C ALA A 56 11.581 17.128 6.318 1.00 0.00 C ATOM 800 O ALA A 56 11.553 17.957 5.409 1.00 0.00 O ATOM 801 CB ALA A 56 10.713 18.638 8.113 1.00 0.00 C ATOM 0 H ALA A 56 11.885 16.289 8.895 1.00 0.00 H new ATOM 0 HA ALA A 56 9.621 17.069 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.484 19.380 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.992 18.722 8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.717 18.812 8.499 1.00 0.00 H new ATOM 807 N GLU A 57 12.419 16.095 6.331 1.00 0.00 N ATOM 808 CA GLU A 57 13.374 15.875 5.251 1.00 0.00 C ATOM 809 C GLU A 57 13.080 14.566 4.524 1.00 0.00 C ATOM 810 O GLU A 57 13.987 13.790 4.226 1.00 0.00 O ATOM 811 CB GLU A 57 14.802 15.855 5.799 1.00 0.00 C ATOM 812 CG GLU A 57 14.954 15.038 7.073 1.00 0.00 C ATOM 813 CD GLU A 57 14.725 15.862 8.325 1.00 0.00 C ATOM 814 OE1 GLU A 57 15.512 16.801 8.570 1.00 0.00 O ATOM 815 OE2 GLU A 57 13.761 15.567 9.061 1.00 0.00 O ATOM 0 H GLU A 57 12.456 15.399 7.076 1.00 0.00 H new ATOM 0 HA GLU A 57 13.276 16.696 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.469 15.452 5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.122 16.879 5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.248 14.208 7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.954 14.605 7.105 1.00 0.00 H new ATOM 822 N VAL A 58 11.803 14.327 4.242 1.00 0.00 N ATOM 823 CA VAL A 58 11.387 13.112 3.549 1.00 0.00 C ATOM 824 C VAL A 58 11.050 13.400 2.090 1.00 0.00 C ATOM 825 O VAL A 58 10.422 14.410 1.773 1.00 0.00 O ATOM 826 CB VAL A 58 10.163 12.470 4.229 1.00 0.00 C ATOM 827 CG1 VAL A 58 10.483 12.109 5.672 1.00 0.00 C ATOM 828 CG2 VAL A 58 8.963 13.401 4.156 1.00 0.00 C ATOM 0 H VAL A 58 11.039 14.958 4.482 1.00 0.00 H new ATOM 0 HA VAL A 58 12.226 12.418 3.595 1.00 0.00 H new ATOM 0 HB VAL A 58 9.913 11.552 3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.607 11.657 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 58 11.312 11.402 5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.760 13.010 6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.108 12.931 4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.198 14.338 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.722 13.603 3.112 1.00 0.00 H new ATOM 838 N THR A 59 11.475 12.505 1.203 1.00 0.00 N ATOM 839 CA THR A 59 11.220 12.662 -0.223 1.00 0.00 C ATOM 840 C THR A 59 10.976 11.312 -0.890 1.00 0.00 C ATOM 841 O THR A 59 11.908 10.537 -1.101 1.00 0.00 O ATOM 842 CB THR A 59 12.393 13.366 -0.929 1.00 0.00 C ATOM 843 OG1 THR A 59 12.719 14.581 -0.245 1.00 0.00 O ATOM 844 CG2 THR A 59 12.047 13.671 -2.379 1.00 0.00 C ATOM 0 H THR A 59 11.997 11.664 1.448 1.00 0.00 H new ATOM 0 HA THR A 59 10.326 13.278 -0.318 1.00 0.00 H new ATOM 0 HB THR A 59 13.254 12.697 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 59 13.467 15.022 -0.700 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.891 14.168 -2.858 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.828 12.741 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.174 14.322 -2.415 1.00 0.00 H new ATOM 852 N GLU A 60 9.718 11.039 -1.220 1.00 0.00 N ATOM 853 CA GLU A 60 9.353 9.783 -1.864 1.00 0.00 C ATOM 854 C GLU A 60 7.949 9.862 -2.457 1.00 0.00 C ATOM 855 O GLU A 60 7.187 10.781 -2.155 1.00 0.00 O ATOM 856 CB GLU A 60 9.429 8.630 -0.860 1.00 0.00 C ATOM 857 CG GLU A 60 9.285 7.258 -1.498 1.00 0.00 C ATOM 858 CD GLU A 60 9.571 6.130 -0.526 1.00 0.00 C ATOM 859 OE1 GLU A 60 10.749 5.735 -0.405 1.00 0.00 O ATOM 860 OE2 GLU A 60 8.616 5.643 0.115 1.00 0.00 O ATOM 0 H GLU A 60 8.935 11.670 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 60 10.060 9.600 -2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.383 8.679 -0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.646 8.758 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.274 7.148 -1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.965 7.183 -2.346 1.00 0.00 H new ATOM 867 N MET A 61 7.616 8.894 -3.305 1.00 0.00 N ATOM 868 CA MET A 61 6.305 8.854 -3.941 1.00 0.00 C ATOM 869 C MET A 61 5.632 7.504 -3.716 1.00 0.00 C ATOM 870 O MET A 61 6.093 6.479 -4.217 1.00 0.00 O ATOM 871 CB MET A 61 6.432 9.130 -5.440 1.00 0.00 C ATOM 872 CG MET A 61 6.977 10.513 -5.760 1.00 0.00 C ATOM 873 SD MET A 61 7.461 10.686 -7.488 1.00 0.00 S ATOM 874 CE MET A 61 8.639 9.347 -7.646 1.00 0.00 C ATOM 0 H MET A 61 8.236 8.128 -3.567 1.00 0.00 H new ATOM 0 HA MET A 61 5.686 9.628 -3.488 1.00 0.00 H new ATOM 0 HB2 MET A 61 7.085 8.379 -5.885 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.453 9.018 -5.906 1.00 0.00 H new ATOM 0 HG2 MET A 61 6.221 11.261 -5.522 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.838 10.716 -5.123 1.00 0.00 H new ATOM 0 HE1 MET A 61 9.437 9.643 -8.327 1.00 0.00 H new ATOM 0 HE2 MET A 61 9.063 9.118 -6.668 1.00 0.00 H new ATOM 0 HE3 MET A 61 8.135 8.464 -8.039 1.00 0.00 H new ATOM 884 N ALA A 62 4.539 7.511 -2.959 1.00 0.00 N ATOM 885 CA ALA A 62 3.803 6.287 -2.669 1.00 0.00 C ATOM 886 C ALA A 62 2.596 6.140 -3.591 1.00 0.00 C ATOM 887 O ALA A 62 2.494 5.173 -4.347 1.00 0.00 O ATOM 888 CB ALA A 62 3.361 6.269 -1.213 1.00 0.00 C ATOM 0 H ALA A 62 4.144 8.351 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 62 4.469 5.442 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.812 5.349 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.237 6.319 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.717 7.126 -1.018 1.00 0.00 H new ATOM 894 N HIS A 63 1.685 7.106 -3.525 1.00 0.00 N ATOM 895 CA HIS A 63 0.487 7.084 -4.355 1.00 0.00 C ATOM 896 C HIS A 63 0.801 6.554 -5.750 1.00 0.00 C ATOM 897 O HIS A 63 0.178 5.601 -6.221 1.00 0.00 O ATOM 898 CB HIS A 63 -0.117 8.485 -4.452 1.00 0.00 C ATOM 899 CG HIS A 63 -1.569 8.487 -4.824 1.00 0.00 C ATOM 900 ND1 HIS A 63 -2.011 8.442 -6.129 1.00 0.00 N ATOM 901 CD2 HIS A 63 -2.681 8.527 -4.053 1.00 0.00 C ATOM 902 CE1 HIS A 63 -3.332 8.456 -6.145 1.00 0.00 C ATOM 903 NE2 HIS A 63 -3.763 8.508 -4.897 1.00 0.00 N ATOM 0 H HIS A 63 1.754 7.913 -2.905 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.237 6.416 -3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.005 8.991 -3.495 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.440 9.061 -5.191 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.711 8.567 -2.974 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.954 8.429 -7.028 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.741 8.530 -4.608 1.00 0.00 H new ATOM 911 N THR A 64 1.771 7.179 -6.411 1.00 0.00 N ATOM 912 CA THR A 64 2.168 6.773 -7.753 1.00 0.00 C ATOM 913 C THR A 64 2.261 5.255 -7.863 1.00 0.00 C ATOM 914 O THR A 64 2.611 4.575 -6.900 1.00 0.00 O ATOM 915 CB THR A 64 3.521 7.389 -8.150 1.00 0.00 C ATOM 916 OG1 THR A 64 4.512 7.071 -7.166 1.00 0.00 O ATOM 917 CG2 THR A 64 3.409 8.899 -8.294 1.00 0.00 C ATOM 0 H THR A 64 2.296 7.969 -6.038 1.00 0.00 H new ATOM 0 HA THR A 64 1.399 7.138 -8.434 1.00 0.00 H new ATOM 0 HB THR A 64 3.816 6.970 -9.112 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.370 7.465 -7.427 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.378 9.311 -8.575 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.676 9.138 -9.065 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.092 9.332 -7.345 1.00 0.00 H new ATOM 925 N GLU A 65 1.946 4.732 -9.043 1.00 0.00 N ATOM 926 CA GLU A 65 1.995 3.293 -9.277 1.00 0.00 C ATOM 927 C GLU A 65 3.368 2.730 -8.926 1.00 0.00 C ATOM 928 O GLU A 65 4.392 3.386 -9.127 1.00 0.00 O ATOM 929 CB GLU A 65 1.662 2.980 -10.738 1.00 0.00 C ATOM 930 CG GLU A 65 1.193 1.552 -10.963 1.00 0.00 C ATOM 931 CD GLU A 65 -0.187 1.295 -10.390 1.00 0.00 C ATOM 932 OE1 GLU A 65 -1.178 1.734 -11.008 1.00 0.00 O ATOM 933 OE2 GLU A 65 -0.275 0.652 -9.322 1.00 0.00 O ATOM 0 H GLU A 65 1.654 5.282 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 65 1.253 2.821 -8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.887 3.666 -11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.545 3.164 -11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.184 1.341 -12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.905 0.864 -10.508 1.00 0.00 H new ATOM 940 N THR A 66 3.385 1.510 -8.397 1.00 0.00 N ATOM 941 CA THR A 66 4.632 0.860 -8.015 1.00 0.00 C ATOM 942 C THR A 66 5.609 1.858 -7.403 1.00 0.00 C ATOM 943 O THR A 66 6.809 1.807 -7.665 1.00 0.00 O ATOM 944 CB THR A 66 5.302 0.177 -9.222 1.00 0.00 C ATOM 945 OG1 THR A 66 5.515 1.131 -10.268 1.00 0.00 O ATOM 946 CG2 THR A 66 4.445 -0.969 -9.740 1.00 0.00 C ATOM 0 H THR A 66 2.549 0.953 -8.224 1.00 0.00 H new ATOM 0 HA THR A 66 4.379 0.103 -7.273 1.00 0.00 H new ATOM 0 HB THR A 66 6.261 -0.226 -8.897 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.943 0.690 -11.031 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.939 -1.436 -10.592 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.309 -1.708 -8.950 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.473 -0.585 -10.049 1.00 0.00 H new ATOM 954 N GLY A 67 5.084 2.767 -6.586 1.00 0.00 N ATOM 955 CA GLY A 67 5.925 3.765 -5.950 1.00 0.00 C ATOM 956 C GLY A 67 7.095 3.149 -5.209 1.00 0.00 C ATOM 957 O GLY A 67 8.091 2.761 -5.821 1.00 0.00 O ATOM 0 H GLY A 67 4.093 2.830 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.300 4.455 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.325 4.351 -5.253 1.00 0.00 H new ATOM 961 N TRP A 68 6.979 3.062 -3.889 1.00 0.00 N ATOM 962 CA TRP A 68 8.038 2.490 -3.064 1.00 0.00 C ATOM 963 C TRP A 68 7.692 1.066 -2.645 1.00 0.00 C ATOM 964 O TRP A 68 6.528 0.743 -2.412 1.00 0.00 O ATOM 965 CB TRP A 68 8.271 3.358 -1.827 1.00 0.00 C ATOM 966 CG TRP A 68 9.021 2.650 -0.739 1.00 0.00 C ATOM 967 CD1 TRP A 68 8.545 2.308 0.496 1.00 0.00 C ATOM 968 CD2 TRP A 68 10.378 2.198 -0.787 1.00 0.00 C ATOM 969 NE1 TRP A 68 9.527 1.672 1.218 1.00 0.00 N ATOM 970 CE2 TRP A 68 10.660 1.592 0.453 1.00 0.00 C ATOM 971 CE3 TRP A 68 11.383 2.246 -1.757 1.00 0.00 C ATOM 972 CZ2 TRP A 68 11.904 1.039 0.745 1.00 0.00 C ATOM 973 CZ3 TRP A 68 12.618 1.697 -1.466 1.00 0.00 C ATOM 974 CH2 TRP A 68 12.869 1.099 -0.223 1.00 0.00 C ATOM 0 H TRP A 68 6.163 3.380 -3.367 1.00 0.00 H new ATOM 0 HA TRP A 68 8.952 2.461 -3.656 1.00 0.00 H new ATOM 0 HB2 TRP A 68 8.823 4.252 -2.117 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.308 3.691 -1.438 1.00 0.00 H new ATOM 0 HD1 TRP A 68 7.545 2.508 0.852 1.00 0.00 H new ATOM 0 HE1 TRP A 68 9.428 1.317 2.169 1.00 0.00 H new ATOM 0 HE3 TRP A 68 11.198 2.704 -2.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 12.100 0.579 1.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 13.402 1.729 -2.208 1.00 0.00 H new ATOM 0 HH2 TRP A 68 13.844 0.677 -0.026 1.00 0.00 H new ATOM 985 N SER A 69 8.711 0.218 -2.551 1.00 0.00 N ATOM 986 CA SER A 69 8.515 -1.174 -2.163 1.00 0.00 C ATOM 987 C SER A 69 8.557 -1.326 -0.645 1.00 0.00 C ATOM 988 O SER A 69 9.394 -0.724 0.028 1.00 0.00 O ATOM 989 CB SER A 69 9.583 -2.061 -2.805 1.00 0.00 C ATOM 990 OG SER A 69 9.574 -1.929 -4.216 1.00 0.00 O ATOM 0 H SER A 69 9.681 0.471 -2.738 1.00 0.00 H new ATOM 0 HA SER A 69 7.533 -1.488 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.565 -1.791 -2.418 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.408 -3.102 -2.533 1.00 0.00 H new ATOM 0 HG SER A 69 10.267 -2.504 -4.603 1.00 0.00 H new ATOM 996 N CYS A 70 7.647 -2.134 -0.113 1.00 0.00 N ATOM 997 CA CYS A 70 7.577 -2.367 1.325 1.00 0.00 C ATOM 998 C CYS A 70 8.807 -3.127 1.813 1.00 0.00 C ATOM 999 O CYS A 70 9.578 -3.661 1.015 1.00 0.00 O ATOM 1000 CB CYS A 70 6.309 -3.148 1.676 1.00 0.00 C ATOM 1001 SG CYS A 70 6.524 -4.957 1.669 1.00 0.00 S ATOM 0 H CYS A 70 6.947 -2.639 -0.656 1.00 0.00 H new ATOM 0 HA CYS A 70 7.548 -1.398 1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 70 5.965 -2.838 2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 70 5.524 -2.883 0.967 1.00 0.00 H new ATOM 1006 N HIS A 71 8.984 -3.170 3.130 1.00 0.00 N ATOM 1007 CA HIS A 71 10.120 -3.866 3.726 1.00 0.00 C ATOM 1008 C HIS A 71 10.006 -5.372 3.516 1.00 0.00 C ATOM 1009 O HIS A 71 10.999 -6.049 3.244 1.00 0.00 O ATOM 1010 CB HIS A 71 10.211 -3.552 5.219 1.00 0.00 C ATOM 1011 CG HIS A 71 11.474 -4.041 5.858 1.00 0.00 C ATOM 1012 ND1 HIS A 71 12.045 -5.260 5.560 1.00 0.00 N ATOM 1013 CD2 HIS A 71 12.278 -3.468 6.785 1.00 0.00 C ATOM 1014 CE1 HIS A 71 13.145 -5.415 6.275 1.00 0.00 C ATOM 1015 NE2 HIS A 71 13.308 -4.342 7.027 1.00 0.00 N ATOM 0 H HIS A 71 8.356 -2.732 3.804 1.00 0.00 H new ATOM 0 HA HIS A 71 11.027 -3.517 3.233 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.136 -2.474 5.360 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.358 -4.000 5.729 1.00 0.00 H new ATOM 0 HD1 HIS A 71 11.676 -5.937 4.892 1.00 0.00 H new ATOM 0 HD2 HIS A 71 12.135 -2.503 7.248 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.800 -6.274 6.249 1.00 0.00 H new ATOM 1023 N TYR A 72 8.791 -5.892 3.645 1.00 0.00 N ATOM 1024 CA TYR A 72 8.547 -7.319 3.472 1.00 0.00 C ATOM 1025 C TYR A 72 8.285 -7.654 2.008 1.00 0.00 C ATOM 1026 O TYR A 72 7.449 -8.502 1.692 1.00 0.00 O ATOM 1027 CB TYR A 72 7.360 -7.762 4.329 1.00 0.00 C ATOM 1028 CG TYR A 72 7.369 -7.179 5.724 1.00 0.00 C ATOM 1029 CD1 TYR A 72 8.262 -7.638 6.685 1.00 0.00 C ATOM 1030 CD2 TYR A 72 6.486 -6.168 6.081 1.00 0.00 C ATOM 1031 CE1 TYR A 72 8.272 -7.109 7.961 1.00 0.00 C ATOM 1032 CE2 TYR A 72 6.491 -5.632 7.354 1.00 0.00 C ATOM 1033 CZ TYR A 72 7.385 -6.106 8.291 1.00 0.00 C ATOM 1034 OH TYR A 72 7.394 -5.574 9.560 1.00 0.00 O ATOM 0 H TYR A 72 7.959 -5.346 3.869 1.00 0.00 H new ATOM 0 HA TYR A 72 9.439 -7.856 3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.435 -7.474 3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.359 -8.850 4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.960 -8.422 6.430 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.783 -5.795 5.351 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.971 -7.479 8.696 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.798 -4.845 7.614 1.00 0.00 H new ATOM 0 HH TYR A 72 6.708 -4.877 9.627 1.00 0.00 H new ATOM 1044 N CYS A 73 9.005 -6.983 1.116 1.00 0.00 N ATOM 1045 CA CYS A 73 8.852 -7.208 -0.317 1.00 0.00 C ATOM 1046 C CYS A 73 9.827 -8.274 -0.807 1.00 0.00 C ATOM 1047 O CYS A 73 10.660 -8.765 -0.046 1.00 0.00 O ATOM 1048 CB CYS A 73 9.076 -5.903 -1.085 1.00 0.00 C ATOM 1049 SG CYS A 73 7.558 -4.933 -1.360 1.00 0.00 S ATOM 0 H CYS A 73 9.701 -6.278 1.360 1.00 0.00 H new ATOM 0 HA CYS A 73 7.836 -7.559 -0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.792 -5.290 -0.538 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.527 -6.134 -2.050 1.00 0.00 H new ATOM 1054 N ASP A 74 9.717 -8.626 -2.083 1.00 0.00 N ATOM 1055 CA ASP A 74 10.589 -9.633 -2.677 1.00 0.00 C ATOM 1056 C ASP A 74 11.621 -8.984 -3.595 1.00 0.00 C ATOM 1057 O ASP A 74 11.316 -8.627 -4.732 1.00 0.00 O ATOM 1058 CB ASP A 74 9.764 -10.656 -3.458 1.00 0.00 C ATOM 1059 CG ASP A 74 9.142 -11.706 -2.559 1.00 0.00 C ATOM 1060 OD1 ASP A 74 8.581 -11.330 -1.509 1.00 0.00 O ATOM 1061 OD2 ASP A 74 9.217 -12.904 -2.904 1.00 0.00 O ATOM 0 H ASP A 74 9.032 -8.229 -2.726 1.00 0.00 H new ATOM 0 HA ASP A 74 11.116 -10.143 -1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.977 -10.140 -4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.400 -11.144 -4.196 1.00 0.00 H new ATOM 1066 N ASN A 75 12.842 -8.834 -3.093 1.00 0.00 N ATOM 1067 CA ASN A 75 13.918 -8.228 -3.868 1.00 0.00 C ATOM 1068 C ASN A 75 15.252 -8.906 -3.570 1.00 0.00 C ATOM 1069 O ASN A 75 15.420 -9.535 -2.525 1.00 0.00 O ATOM 1070 CB ASN A 75 14.014 -6.732 -3.562 1.00 0.00 C ATOM 1071 CG ASN A 75 15.406 -6.180 -3.803 1.00 0.00 C ATOM 1072 OD1 ASN A 75 15.863 -6.095 -4.943 1.00 0.00 O ATOM 1073 ND2 ASN A 75 16.087 -5.802 -2.728 1.00 0.00 N ATOM 0 H ASN A 75 13.111 -9.124 -2.153 1.00 0.00 H new ATOM 0 HA ASN A 75 13.691 -8.362 -4.926 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.299 -6.191 -4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.732 -6.558 -2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.029 -5.423 -2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.669 -5.890 -1.802 1.00 0.00 H new ATOM 1080 N ILE A 76 16.197 -8.772 -4.494 1.00 0.00 N ATOM 1081 CA ILE A 76 17.516 -9.369 -4.330 1.00 0.00 C ATOM 1082 C ILE A 76 18.232 -8.795 -3.111 1.00 0.00 C ATOM 1083 O ILE A 76 18.888 -7.758 -3.197 1.00 0.00 O ATOM 1084 CB ILE A 76 18.392 -9.151 -5.577 1.00 0.00 C ATOM 1085 CG1 ILE A 76 17.744 -9.799 -6.802 1.00 0.00 C ATOM 1086 CG2 ILE A 76 19.788 -9.714 -5.349 1.00 0.00 C ATOM 1087 CD1 ILE A 76 16.871 -8.852 -7.595 1.00 0.00 C ATOM 0 H ILE A 76 16.073 -8.255 -5.364 1.00 0.00 H new ATOM 0 HA ILE A 76 17.363 -10.439 -4.187 1.00 0.00 H new ATOM 0 HB ILE A 76 18.479 -8.080 -5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 76 18.526 -10.190 -7.453 1.00 0.00 H new ATOM 0 HG13 ILE A 76 17.144 -10.649 -6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 76 20.395 -9.552 -6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 76 20.249 -9.211 -4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 76 19.721 -10.783 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 76 16.444 -9.379 -8.449 1.00 0.00 H new ATOM 0 HD12 ILE A 76 16.067 -8.480 -6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 76 17.471 -8.014 -7.949 1.00 0.00 H new ATOM 1099 N ASN A 77 18.101 -9.477 -1.979 1.00 0.00 N ATOM 1100 CA ASN A 77 18.736 -9.036 -0.743 1.00 0.00 C ATOM 1101 C ASN A 77 20.255 -9.145 -0.843 1.00 0.00 C ATOM 1102 O ASN A 77 20.830 -10.204 -0.583 1.00 0.00 O ATOM 1103 CB ASN A 77 18.231 -9.864 0.440 1.00 0.00 C ATOM 1104 CG ASN A 77 16.757 -10.202 0.320 1.00 0.00 C ATOM 1105 OD1 ASN A 77 15.911 -9.312 0.217 1.00 0.00 O ATOM 1106 ND2 ASN A 77 16.444 -11.492 0.334 1.00 0.00 N ATOM 0 H ASN A 77 17.561 -10.338 -1.892 1.00 0.00 H new ATOM 0 HA ASN A 77 18.474 -7.990 -0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 77 18.808 -10.786 0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 77 18.401 -9.313 1.365 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.469 -11.781 0.258 1.00 0.00 H new ATOM 0 HD22 ASN A 77 17.179 -12.194 0.421 1.00 0.00 H new ATOM 1113 N LEU A 78 20.899 -8.047 -1.220 1.00 0.00 N ATOM 1114 CA LEU A 78 22.352 -8.019 -1.354 1.00 0.00 C ATOM 1115 C LEU A 78 23.021 -8.700 -0.165 1.00 0.00 C ATOM 1116 O LEU A 78 22.607 -8.521 0.981 1.00 0.00 O ATOM 1117 CB LEU A 78 22.844 -6.576 -1.473 1.00 0.00 C ATOM 1118 CG LEU A 78 22.826 -5.751 -0.186 1.00 0.00 C ATOM 1119 CD1 LEU A 78 23.635 -4.476 -0.357 1.00 0.00 C ATOM 1120 CD2 LEU A 78 21.395 -5.427 0.219 1.00 0.00 C ATOM 0 H LEU A 78 20.439 -7.163 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 78 22.620 -8.564 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 78 23.864 -6.592 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 78 22.232 -6.065 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 78 23.283 -6.342 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 78 23.610 -3.902 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 78 24.667 -4.730 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 78 23.209 -3.880 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 78 21.401 -4.839 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 78 20.913 -4.856 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 78 20.845 -6.353 0.385 1.00 0.00 H new ATOM 1132 N LEU A 79 24.059 -9.481 -0.444 1.00 0.00 N ATOM 1133 CA LEU A 79 24.788 -10.187 0.603 1.00 0.00 C ATOM 1134 C LEU A 79 25.728 -9.243 1.344 1.00 0.00 C ATOM 1135 O LEU A 79 26.049 -8.159 0.856 1.00 0.00 O ATOM 1136 CB LEU A 79 25.583 -11.349 0.003 1.00 0.00 C ATOM 1137 CG LEU A 79 26.966 -11.002 -0.551 1.00 0.00 C ATOM 1138 CD1 LEU A 79 27.915 -12.179 -0.392 1.00 0.00 C ATOM 1139 CD2 LEU A 79 26.867 -10.586 -2.011 1.00 0.00 C ATOM 0 H LEU A 79 24.414 -9.641 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 79 24.062 -10.580 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 79 25.702 -12.115 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.993 -11.791 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 79 27.364 -10.162 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 79 28.894 -11.914 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 79 28.010 -12.430 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 79 27.522 -13.039 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 79 27.860 -10.343 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 79 26.448 -11.405 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 79 26.222 -9.712 -2.097 1.00 0.00 H new ATOM 1151 N LEU A 80 26.168 -9.662 2.526 1.00 0.00 N ATOM 1152 CA LEU A 80 27.074 -8.855 3.335 1.00 0.00 C ATOM 1153 C LEU A 80 28.145 -9.724 3.987 1.00 0.00 C ATOM 1154 O LEU A 80 27.876 -10.850 4.405 1.00 0.00 O ATOM 1155 CB LEU A 80 26.293 -8.098 4.410 1.00 0.00 C ATOM 1156 CG LEU A 80 27.044 -6.969 5.117 1.00 0.00 C ATOM 1157 CD1 LEU A 80 26.080 -5.876 5.553 1.00 0.00 C ATOM 1158 CD2 LEU A 80 27.815 -7.510 6.312 1.00 0.00 C ATOM 0 H LEU A 80 25.912 -10.556 2.945 1.00 0.00 H new ATOM 0 HA LEU A 80 27.565 -8.138 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 80 25.396 -7.680 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 80 25.962 -8.814 5.162 1.00 0.00 H new ATOM 0 HG LEU A 80 27.756 -6.536 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 80 26.633 -5.082 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 80 25.572 -5.469 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 80 25.343 -6.293 6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 80 28.344 -6.693 6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 80 27.120 -7.969 7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 80 28.534 -8.256 5.974 1.00 0.00 H new ATOM 1170 N THR A 81 29.361 -9.193 4.070 1.00 0.00 N ATOM 1171 CA THR A 81 30.472 -9.920 4.672 1.00 0.00 C ATOM 1172 C THR A 81 30.266 -10.098 6.172 1.00 0.00 C ATOM 1173 O THR A 81 30.474 -9.168 6.951 1.00 0.00 O ATOM 1174 CB THR A 81 31.812 -9.197 4.432 1.00 0.00 C ATOM 1175 OG1 THR A 81 31.955 -8.878 3.044 1.00 0.00 O ATOM 1176 CG2 THR A 81 32.980 -10.060 4.882 1.00 0.00 C ATOM 0 H THR A 81 29.601 -8.263 3.728 1.00 0.00 H new ATOM 0 HA THR A 81 30.504 -10.899 4.194 1.00 0.00 H new ATOM 0 HB THR A 81 31.813 -8.277 5.017 1.00 0.00 H new ATOM 0 HG1 THR A 81 32.808 -8.417 2.900 1.00 0.00 H new ATOM 0 HG21 THR A 81 33.915 -9.529 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 81 32.884 -10.276 5.946 1.00 0.00 H new ATOM 0 HG23 THR A 81 32.980 -10.994 4.320 1.00 0.00 H new ATOM 1184 N GLU A 82 29.855 -11.298 6.569 1.00 0.00 N ATOM 1185 CA GLU A 82 29.621 -11.597 7.977 1.00 0.00 C ATOM 1186 C GLU A 82 29.430 -13.095 8.192 1.00 0.00 C ATOM 1187 O GLU A 82 28.611 -13.728 7.527 1.00 0.00 O ATOM 1188 CB GLU A 82 28.393 -10.838 8.485 1.00 0.00 C ATOM 1189 CG GLU A 82 28.463 -10.484 9.961 1.00 0.00 C ATOM 1190 CD GLU A 82 29.553 -9.475 10.268 1.00 0.00 C ATOM 1191 OE1 GLU A 82 30.707 -9.897 10.491 1.00 0.00 O ATOM 1192 OE2 GLU A 82 29.250 -8.263 10.285 1.00 0.00 O ATOM 0 H GLU A 82 29.677 -12.078 5.936 1.00 0.00 H new ATOM 0 HA GLU A 82 30.497 -11.276 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.277 -9.922 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 82 27.504 -11.442 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.501 -10.083 10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 82 28.639 -11.390 10.540 1.00 0.00 H new ATOM 1199 N GLU A 83 30.195 -13.656 9.124 1.00 0.00 N ATOM 1200 CA GLU A 83 30.111 -15.080 9.424 1.00 0.00 C ATOM 1201 C GLU A 83 30.047 -15.316 10.930 1.00 0.00 C ATOM 1202 O GLU A 83 31.049 -15.651 11.561 1.00 0.00 O ATOM 1203 CB GLU A 83 31.313 -15.820 8.832 1.00 0.00 C ATOM 1204 CG GLU A 83 32.628 -15.079 9.001 1.00 0.00 C ATOM 1205 CD GLU A 83 33.833 -15.991 8.871 1.00 0.00 C ATOM 1206 OE1 GLU A 83 33.888 -17.009 9.593 1.00 0.00 O ATOM 1207 OE2 GLU A 83 34.720 -15.687 8.048 1.00 0.00 O ATOM 0 H GLU A 83 30.879 -13.146 9.683 1.00 0.00 H new ATOM 0 HA GLU A 83 29.197 -15.467 8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 83 31.394 -16.799 9.304 1.00 0.00 H new ATOM 0 HB3 GLU A 83 31.136 -15.992 7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 83 32.694 -14.288 8.254 1.00 0.00 H new ATOM 0 HG3 GLU A 83 32.646 -14.597 9.978 1.00 0.00 H new ATOM 1214 N SER A 84 28.859 -15.138 11.500 1.00 0.00 N ATOM 1215 CA SER A 84 28.663 -15.326 12.933 1.00 0.00 C ATOM 1216 C SER A 84 27.303 -15.955 13.217 1.00 0.00 C ATOM 1217 O SER A 84 26.265 -15.318 13.046 1.00 0.00 O ATOM 1218 CB SER A 84 28.783 -13.989 13.666 1.00 0.00 C ATOM 1219 OG SER A 84 30.089 -13.452 13.539 1.00 0.00 O ATOM 0 H SER A 84 28.018 -14.864 10.992 1.00 0.00 H new ATOM 0 HA SER A 84 29.439 -16.001 13.295 1.00 0.00 H new ATOM 0 HB2 SER A 84 28.056 -13.284 13.264 1.00 0.00 H new ATOM 0 HB3 SER A 84 28.544 -14.126 14.721 1.00 0.00 H new ATOM 0 HG SER A 84 30.139 -12.597 14.015 1.00 0.00 H new ATOM 1225 N GLY A 85 27.318 -17.211 13.653 1.00 0.00 N ATOM 1226 CA GLY A 85 26.080 -17.906 13.955 1.00 0.00 C ATOM 1227 C GLY A 85 26.292 -19.387 14.204 1.00 0.00 C ATOM 1228 O GLY A 85 26.540 -20.163 13.282 1.00 0.00 O ATOM 0 H GLY A 85 28.165 -17.759 13.802 1.00 0.00 H new ATOM 0 HA2 GLY A 85 25.619 -17.455 14.834 1.00 0.00 H new ATOM 0 HA3 GLY A 85 25.383 -17.776 13.127 1.00 0.00 H new ATOM 1232 N PRO A 86 26.195 -19.796 15.477 1.00 0.00 N ATOM 1233 CA PRO A 86 26.376 -21.196 15.874 1.00 0.00 C ATOM 1234 C PRO A 86 25.233 -22.085 15.399 1.00 0.00 C ATOM 1235 O PRO A 86 24.111 -21.991 15.896 1.00 0.00 O ATOM 1236 CB PRO A 86 26.402 -21.130 17.403 1.00 0.00 C ATOM 1237 CG PRO A 86 25.635 -19.898 17.742 1.00 0.00 C ATOM 1238 CD PRO A 86 25.901 -18.925 16.627 1.00 0.00 C ATOM 0 HA PRO A 86 27.275 -21.631 15.437 1.00 0.00 H new ATOM 0 HB2 PRO A 86 25.945 -22.015 17.845 1.00 0.00 H new ATOM 0 HB3 PRO A 86 27.423 -21.077 17.780 1.00 0.00 H new ATOM 0 HG2 PRO A 86 24.570 -20.113 17.827 1.00 0.00 H new ATOM 0 HG3 PRO A 86 25.955 -19.490 18.701 1.00 0.00 H new ATOM 0 HD2 PRO A 86 25.039 -18.286 16.437 1.00 0.00 H new ATOM 0 HD3 PRO A 86 26.740 -18.268 16.858 1.00 0.00 H new ATOM 1246 N SER A 87 25.525 -22.951 14.433 1.00 0.00 N ATOM 1247 CA SER A 87 24.521 -23.856 13.887 1.00 0.00 C ATOM 1248 C SER A 87 23.222 -23.113 13.595 1.00 0.00 C ATOM 1249 O SER A 87 22.131 -23.623 13.850 1.00 0.00 O ATOM 1250 CB SER A 87 24.256 -25.005 14.862 1.00 0.00 C ATOM 1251 OG SER A 87 25.433 -25.761 15.092 1.00 0.00 O ATOM 0 H SER A 87 26.450 -23.044 14.013 1.00 0.00 H new ATOM 0 HA SER A 87 24.905 -24.263 12.952 1.00 0.00 H new ATOM 0 HB2 SER A 87 23.886 -24.606 15.807 1.00 0.00 H new ATOM 0 HB3 SER A 87 23.476 -25.653 14.462 1.00 0.00 H new ATOM 0 HG SER A 87 25.238 -26.488 15.720 1.00 0.00 H new ATOM 1257 N SER A 88 23.347 -21.904 13.057 1.00 0.00 N ATOM 1258 CA SER A 88 22.183 -21.087 12.733 1.00 0.00 C ATOM 1259 C SER A 88 21.669 -21.405 11.332 1.00 0.00 C ATOM 1260 O SER A 88 22.405 -21.302 10.351 1.00 0.00 O ATOM 1261 CB SER A 88 22.533 -19.600 12.836 1.00 0.00 C ATOM 1262 OG SER A 88 21.423 -18.791 12.488 1.00 0.00 O ATOM 0 H SER A 88 24.243 -21.468 12.836 1.00 0.00 H new ATOM 0 HA SER A 88 21.396 -21.318 13.451 1.00 0.00 H new ATOM 0 HB2 SER A 88 22.852 -19.368 13.852 1.00 0.00 H new ATOM 0 HB3 SER A 88 23.372 -19.374 12.178 1.00 0.00 H new ATOM 0 HG SER A 88 21.671 -17.846 12.563 1.00 0.00 H new ATOM 1268 N GLY A 89 20.401 -21.792 11.247 1.00 0.00 N ATOM 1269 CA GLY A 89 19.809 -22.119 9.963 1.00 0.00 C ATOM 1270 C GLY A 89 18.823 -23.267 10.055 1.00 0.00 C ATOM 1271 O GLY A 89 18.358 -23.571 11.153 1.00 0.00 O ATOM 0 H GLY A 89 19.772 -21.885 12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 89 19.302 -21.240 9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 89 20.599 -22.378 9.258 1.00 0.00 H new TER 1275 GLY A 89 HETATM 1276 ZN ZN A 201 -4.527 2.838 7.411 1.00 0.00 ZN HETATM 1277 ZN ZN A 401 5.648 -5.772 -0.328 1.00 0.00 ZN